UCSF

ZINC22919843

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 28 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 6.16 -42.1 3 7 1 82 378.456 5
Ref Reference (pH 7) 1.94 6.04 -49.44 3 7 1 82 378.456 5
Hi High (pH 8-9.5) 2.85 1.42 -48.1 1 7 -1 87 376.44 5
Hi High (pH 8-9.5) 2.40 1.88 -58.45 1 7 -1 84 376.44 5
Hi High (pH 8-9.5) 2.85 2.37 -49.57 1 7 -1 87 376.44 5
Hi High (pH 8-9.5) 2.40 2.16 -45.39 1 7 -1 84 376.44 5
Mid Mid (pH 6-8) 1.94 3.77 -18.84 2 7 0 81 377.448 5
Mid Mid (pH 6-8) 2.85 2.94 -41.24 3 7 1 85 378.456 5
Mid Mid (pH 6-8) 2.85 3.82 -43.74 3 7 1 85 378.456 5
Mid Mid (pH 6-8) 1.94 3.9 -12.58 2 7 0 81 377.448 5
Mid Mid (pH 6-8) 1.77 6.09 -100.66 4 7 2 80 379.464 6
Mid Mid (pH 6-8) 1.77 3.9 -35.19 3 7 1 79 378.456 6

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Analogs ( Draw Identity 99% 90% 80% 70% )