UCSF

ZINC35732065

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 2.85 8.87 -56.69 1 4 0 54 237.299 7
Hi High (pH 8-9.5) 2.85 6.57 -57.93 0 4 -1 53 236.291 7

Activity (Go SEA)

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