UCSF

ZINC34983282

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 3.79 4.54 -3.87 2 2 0 28 275.566 0
Lo Low (pH 4.5-6) 3.79 5.91 -44.81 3 2 1 32 276.574 0

Activity (Go SEA)

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