UCSF

ZINC40175321

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 23 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) 3.57 9.47 -30.37 1 3 1 21 304.417 3
Mid Mid (pH 6-8) 3.57 11.68 -87.9 2 3 2 22 305.425 3

Activity (Go SEA)

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