UCSF

ZINC05729686

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 19 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) -0.46 0.14 -51.61 3 6 -1 105 261.257 4
Mid Mid (pH 6-8) 0.39 -1.46 -19.98 4 6 0 107 262.265 4

Activity (Go SEA)

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