UCSF

ZINC41041257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 14 No

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) -1.21 -2.46 -34.66 0 7 -1 101 199.142 4
Mid Mid (pH 6-8) -1.67 0.2 -8.77 1 7 0 98 200.15 4

Activity (Go SEA)

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