UCSF

ZINC19361703

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 27 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) 3.85 11.02 -35.68 1 3 1 11 364.557 5
Mid Mid (pH 6-8) 3.85 11.19 -37.78 1 3 1 11 364.557 5
Mid Mid (pH 6-8) 3.85 13.45 -108.53 2 3 2 12 365.565 5

Activity (Go SEA)

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