UCSF

ZINC37826381

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.18 5.6 -43.19 3 4 1 57 289.399 6
Mid Mid (pH 6-8) 1.18 5.29 -7.1 2 4 0 56 288.391 6

Activity (Go SEA)

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