UCSF

ZINC43437257

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 No

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) 2.20 5.4 -14.77 3 5 0 77 281.381 7
Lo Low (pH 4.5-6) 2.20 5.92 -47.04 4 5 1 78 282.389 7

Activity (Go SEA)

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