UCSF

ZINC42212539

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 1.67 3.11 -39.8 3 3 1 46 173.28 7
Hi High (pH 8-9.5) 1.67 1.75 -6.85 2 3 0 41 172.272 7

Activity (Go SEA)

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