UCSF

ZINC22468611

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 31 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) 4.68 12.52 -4.75 0 4 0 21 417.597 9
Mid Mid (pH 6-8) 4.68 13.57 -38.7 1 4 1 22 418.605 9
Lo Low (pH 4.5-6) 4.68 14.88 -49.54 1 4 1 22 418.605 9

Activity (Go SEA)

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