UCSF

ZINC62534733

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 21 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) 1.86 7.2 -13.9 1 5 0 56 287.363 7
Mid Mid (pH 6-8) 1.86 8.3 -32.24 2 5 1 57 288.371 7
Mid Mid (pH 6-8) 1.86 8.73 -53.04 2 5 1 61 288.371 7
Lo Low (pH 4.5-6) 1.86 9.16 -97.72 3 5 2 62 289.379 7

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

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