UCSF

ZINC62796892

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 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) 2.30 4.99 -3.66 1 2 0 15 176.263 2
Lo Low (pH 4.5-6) 2.30 5.56 -34.72 2 2 1 20 177.271 2

Activity (Go SEA)

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