UCSF

ZINC39956835

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 19 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) 0.90 3.05 -37.98 2 5 1 50 283.783 4
Mid Mid (pH 6-8) 0.90 2.93 -38.5 2 5 1 50 283.783 4
Mid Mid (pH 6-8) 0.90 0.67 -7.17 1 5 0 48 282.775 4

Activity (Go SEA)

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