UCSF

ZINC19880120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 4.18 5.77 -26.82 2 2 0 40 262.18 4
Mid Mid (pH 6-8) 4.18 5.12 -36.45 3 2 1 37 263.188 4

Activity (Go SEA)

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