UCSF

ZINC43328163

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 20 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) 2.84 4.56 -121.16 7 4 2 84 287.492 14
Mid Mid (pH 6-8) 2.84 4.23 -52.33 6 4 1 83 286.484 14
Mid Mid (pH 6-8) 2.84 4.18 -42.35 6 4 1 83 286.484 14

Activity (Go SEA)

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