UCSF

ZINC59510944

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 22 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) 6.74 8.25 -7.18 2 2 0 40 339.262 7
Hi High (pH 8-9.5) 6.74 9.02 -44.15 1 2 -1 43 338.254 7

Activity (Go SEA)

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