UCSF

ZINC36924436

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 15 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) -0.08 0.48 -10.45 3 5 0 77 209.249 6
Lo Low (pH 4.5-6) -0.08 0.83 -37.53 4 5 1 78 210.257 6

Activity (Go SEA)

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