UCSF

ZINC19389272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 21 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) 4.03 8.6 -51.19 1 4 -1 69 296.431 10
Lo Low (pH 4.5-6) 4.03 7.48 -13.37 2 4 0 66 297.439 10

Activity (Go SEA)

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