UCSF

ZINC51770422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 16 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) 0.74 1.66 -10.39 1 5 0 65 227.308 8
Mid Mid (pH 6-8) 0.74 3.63 -49.8 2 5 1 67 228.316 8

Activity (Go SEA)

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