UCSF

ZINC38779948

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 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) 2.35 6.13 -36.23 3 3 1 46 287.305 4
Mid Mid (pH 6-8) 2.35 4.81 -8.72 2 3 0 41 286.297 4

Activity (Go SEA)

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