UCSF

ZINC37081004

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 0.62 6.8 -118.56 4 3 2 41 250.386 6
Mid Mid (pH 6-8) 0.62 6.52 -34.21 3 3 1 40 249.378 6
Mid Mid (pH 6-8) 0.62 5.01 -42.68 3 3 1 40 249.378 6

Activity (Go SEA)

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