UCSF

ZINC28900735

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 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) 2.21 5.05 -52.45 1 5 -1 78 282.291 6
Lo Low (pH 4.5-6) 2.21 3.92 -15.21 2 5 0 76 283.299 6

Activity (Go SEA)

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