UCSF

ZINC43435186

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.75 6.5 -36.87 2 5 1 69 246.327 9
Mid Mid (pH 6-8) 1.75 5.58 -8.63 1 5 0 65 245.319 9

Activity (Go SEA)

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