UCSF

ZINC32349096

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2009 22 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) 2.60 6.1 -13.59 1 4 0 55 329.45 5
Lo Low (pH 4.5-6) 2.60 6.53 -44.09 2 4 1 56 330.458 5

Activity (Go SEA)

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