UCSF

ZINC43703914

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 13 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) -0.15 3.29 -47.18 0 4 -1 53 182.199 3
Mid Mid (pH 6-8) -0.15 5.58 -52.54 1 4 0 54 183.207 3

Activity (Go SEA)

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