UCSF

ZINC65322628

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 35 Yes

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) 3.29 6.97 -14.57 2 9 0 93 472.549 8
Mid Mid (pH 6-8) 3.29 9.24 -51.62 3 9 1 94 473.557 8
Lo Low (pH 4.5-6) 3.29 9.44 -83.8 4 9 2 95 474.565 8

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

No pre-computed analogs available. Try a structural similarity search.