UCSF

ZINC33903721

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 18 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) 3.05 7.25 -33.53 2 2 1 25 246.374 1
Hi High (pH 8-9.5) 3.05 5.08 -4.29 1 2 0 23 245.366 1

Activity (Go SEA)

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