UCSF

ZINC37988353

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 3.20 3.73 -5.92 2 3 0 41 342.258 6
Mid Mid (pH 6-8) 3.20 5.14 -49.89 3 3 1 46 343.266 6

Activity (Go SEA)

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