UCSF

ZINC06535291

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 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) 0.67 4.89 -65 4 5 0 101 236.271 7
Lo Low (pH 4.5-6) 0.67 2.91 -36.99 5 5 1 98 237.279 7

Activity (Go SEA)

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