UCSF

ZINC40505752

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 26 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) 5.12 10.96 -8.51 0 4 0 36 368.502 7
Mid Mid (pH 6-8) 5.12 11.48 -26.26 1 4 1 38 369.51 7

Activity (Go SEA)

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