UCSF

ZINC32904501

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 18 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) 0.44 0.4 -14.96 2 6 0 79 253.302 1
Hi High (pH 8-9.5) 0.63 -1.39 -44.51 1 6 -1 85 252.294 1

Activity (Go SEA)

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