UCSF

ZINC22445591

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 28 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) 5.07 13.67 -37.03 1 3 1 13 415.388 4
Mid Mid (pH 6-8) 5.07 13.54 -38.67 1 3 1 13 415.388 4
Mid Mid (pH 6-8) 5.07 11.2 -3.69 0 3 0 11 414.38 4

Activity (Go SEA)

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