UCSF

ZINC33821355

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 20 No

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) 3.64 5.18 -37.33 2 4 -1 81 307.391 11
Mid Mid (pH 6-8) 3.64 6.31 -122.99 1 4 -2 83 306.383 11

Activity (Go SEA)

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