UCSF

ZINC43395948

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.57 4.08 -98.37 4 5 2 63 269.389 9
Mid Mid (pH 6-8) 0.57 3.7 -47.04 3 5 1 62 268.381 9

Activity (Go SEA)

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