UCSF

ZINC32192518

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 3.56 10.36 -51.43 0 3 -1 57 269.32 5
Lo Low (pH 4.5-6) 3.56 8.38 -14.08 1 3 0 54 270.328 5

Activity (Go SEA)

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