UCSF

ZINC37111225

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.66 7.7 -126.1 4 2 2 32 268.47 7
Hi High (pH 8-9.5) 2.66 7.23 -29.55 3 2 1 30 267.462 7
Mid Mid (pH 6-8) 2.66 6.29 -44.9 3 2 1 31 267.462 7

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Rings

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