UCSF

ZINC16585888

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 24 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) 3.61 10.6 -47.75 2 4 1 50 342.488 4
Mid Mid (pH 6-8) 3.61 8.27 -10.77 1 4 0 49 341.48 4

Activity (Go SEA)

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