UCSF

ZINC40748455

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 17 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) 0.53 0.18 -37.72 3 4 1 49 243.371 7
Mid Mid (pH 6-8) 0.53 2.29 -97.39 4 4 2 51 244.379 7

Activity (Go SEA)

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