UCSF

ZINC34679297

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 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) 2.02 7.94 -87.87 3 3 2 24 275.44 3
Mid Mid (pH 6-8) 2.02 5.58 -38.62 2 3 1 23 274.432 3
Lo Low (pH 4.5-6) 2.02 9.65 -198.55 4 3 3 25 276.448 3

Activity (Go SEA)

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