UCSF

ZINC32577764

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2009 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) 1.56 6.92 -84.33 2 3 2 12 241.423 3
Hi High (pH 8-9.5) 1.56 4.65 -33.68 1 3 1 11 240.415 3

Activity (Go SEA)

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