UCSF

ZINC32153215

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 2.63 6.88 -9.56 1 4 0 45 261.369 4
Lo Low (pH 4.5-6) 2.63 7.15 -40.78 2 4 1 46 262.377 4

Activity (Go SEA)

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