UCSF

ZINC42588743

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 15 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) 3.13 6.9 -34.3 2 3 1 43 216.345 7
Mid Mid (pH 6-8) 3.13 6.12 -3.5 1 3 0 38 215.337 7

Activity (Go SEA)

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