UCSF

ZINC41047442

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 12 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) 1.12 1.86 -37.78 4 3 1 60 169.248 5
Hi High (pH 8-9.5) 1.12 1.06 -6.54 3 3 0 55 168.24 5

Activity (Go SEA)

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