UCSF

ZINC37108341

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) -0.38 0.56 -101.36 5 3 2 52 162.277 5
Mid Mid (pH 6-8) -0.38 0.11 -33.18 4 3 1 51 161.269 5
Mid Mid (pH 6-8) -0.38 1.12 -44.56 4 3 1 55 161.269 5

Activity (Go SEA)

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