UCSF

ZINC37199860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 5.53 9.71 -37.79 2 1 1 17 300.9 6
Mid Mid (pH 6-8) 5.53 8.51 -2.77 1 1 0 12 299.892 6

Activity (Go SEA)

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