UCSF

ZINC12613641

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 26 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) 3.62 9.99 -42.69 2 5 1 50 353.49 6
Mid Mid (pH 6-8) 3.62 7.52 -10.79 1 5 0 48 352.482 6
Mid Mid (pH 6-8) 3.62 7.82 -37.92 2 5 1 50 353.49 6

Activity (Go SEA)

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