UCSF

ZINC32240796

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 11 No

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) -1.17 2.65 -34.17 3 3 0 68 177.269 5
Hi High (pH 8-9.5) -1.17 2.39 -44.27 2 3 -1 66 176.261 5

Activity (Go SEA)

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