UCSF

ZINC39318914

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 15 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) 1.26 5.4 -117.45 4 2 2 32 206.333 3
Mid Mid (pH 6-8) 1.26 3.29 -46.81 3 2 1 31 205.325 3
Mid Mid (pH 6-8) 1.26 5.05 -29.58 3 2 1 30 205.325 3

Activity (Go SEA)

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