UCSF

ZINC49475217

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 15 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) -0.30 1.59 -117.38 4 4 2 46 217.357 8
Mid Mid (pH 6-8) -0.30 0.26 -37.27 3 4 1 41 216.349 8
Mid Mid (pH 6-8) -0.30 0.24 -40.84 3 4 1 41 216.349 8
Mid Mid (pH 6-8) -0.30 2.52 -84.9 4 4 2 42 217.357 8
Lo Low (pH 4.5-6) -0.30 3.86 -196.96 5 4 3 47 218.365 8

Activity (Go SEA)

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