UCSF

ZINC01105747

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 36 No

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) 2.63 8.84 -56.91 0 8 -1 107 513.567 7
Mid Mid (pH 6-8) 3.08 -5.75 -34.11 1 8 0 104 514.575 6
Mid Mid (pH 6-8) 2.05 -5.47 -26.89 0 8 0 101 514.575 7

Activity (Go SEA)

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