UCSF

ZINC39941234

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 11 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) -1.02 -0.97 -38.04 4 4 1 66 159.209 2
Mid Mid (pH 6-8) -1.02 0.05 -43.94 4 4 1 69 159.209 2
Lo Low (pH 4.5-6) -1.02 0.37 -108.41 5 4 2 71 160.217 2

Activity (Go SEA)

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