UCSF

ZINC23072011

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 17 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) -0.76 4.61 -40.83 3 4 1 49 237.323 3
Mid Mid (pH 6-8) -0.76 4.89 -136.54 4 4 2 51 238.331 3
Mid Mid (pH 6-8) -0.76 2.75 -47.56 3 4 1 49 237.323 3

Activity (Go SEA)

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