UCSF

ZINC32118293

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 2.53 4.71 -6.58 2 3 0 45 270.376 6
Lo Low (pH 4.5-6) 2.53 5.15 -37.67 3 3 1 46 271.384 6
Lo Low (pH 4.5-6) 2.53 6.23 -53.44 3 3 1 50 271.384 6

Activity (Go SEA)

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