UCSF

ZINC45619009

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 13 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) 0.97 0.46 -3.97 1 3 0 33 187.283 5
Mid Mid (pH 6-8) 0.97 2.72 -34.73 2 3 1 34 188.291 5

Activity (Go SEA)

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