UCSF

ZINC22720878

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 30 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) 3.73 9.68 -19.72 3 8 0 108 461.334 5
Ref Reference (pH 7) 4.64 9.24 -43.88 1 8 -1 108 460.326 6
Hi High (pH 8-9.5) 3.73 9.52 -47.23 2 8 -1 106 460.326 5
Lo Low (pH 4.5-6) 3.73 9.69 -34.08 3 8 0 108 461.334 5

Activity (Go SEA)

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