UCSF

ZINC41680055

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.21 5.94 -90.24 4 4 2 50 243.395 6
Hi High (pH 8-9.5) 1.40 3.45 -42.02 3 4 1 56 242.387 6
Hi High (pH 8-9.5) 1.21 3.96 -40.58 3 4 1 46 242.387 6

Activity (Go SEA)

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