UCSF

ZINC06687940

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 20 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) 1.98 6.79 -39.64 2 4 1 44 298.769 7
Mid Mid (pH 6-8) 1.98 5.44 -7.64 1 4 0 39 297.761 7
Mid Mid (pH 6-8) 1.98 5.88 -26.47 2 4 1 40 298.769 7

Activity (Go SEA)

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