UCSF

ZINC43434893

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 2.78 6.2 -42.34 2 4 1 52 286.314 11
Mid Mid (pH 6-8) 2.78 4.97 -7.92 1 4 0 48 285.306 11

Activity (Go SEA)

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