UCSF

ZINC35258964

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 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) 3.33 9.8 -120.09 3 3 2 34 274.408 5
Mid Mid (pH 6-8) 3.33 7.95 -38.39 2 3 1 33 273.4 5
Mid Mid (pH 6-8) 3.33 8.72 -34.66 2 3 1 30 273.4 5

Activity (Go SEA)

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