UCSF

ZINC49327525

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 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) -0.23 4.23 -86.23 4 4 2 50 212.341 7
Mid Mid (pH 6-8) -0.23 5.67 -125.63 4 4 2 50 212.341 7
Mid Mid (pH 6-8) -0.23 5.28 -41.52 3 4 1 48 211.333 7
Mid Mid (pH 6-8) -0.23 6.19 -180.1 5 4 3 51 213.349 7
Mid Mid (pH 6-8) -0.23 3.72 -50.71 3 4 1 49 211.333 7

Activity (Go SEA)

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