UCSF

ZINC00560833

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 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) 3.20 8.01 -14.4 1 4 0 47 285.391 6
Mid Mid (pH 6-8) 3.20 8.52 -34.24 2 4 1 48 286.399 6
Mid Mid (pH 6-8) 3.39 5.96 -26.81 2 4 1 52 286.399 6

Activity (Go SEA)

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