UCSF

ZINC44680111

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) -0.64 3.37 -107.69 5 5 2 78 311.451 5
Hi High (pH 8-9.5) -0.64 0.98 -56.05 4 5 1 77 310.443 5
Hi High (pH 8-9.5) -0.64 3.23 -74.39 4 5 1 80 310.443 5

Activity (Go SEA)

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