UCSF

ZINC35699285

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 20 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) 1.94 8.7 -61.27 0 5 -1 74 278.328 4
Lo Low (pH 4.5-6) 1.94 6.66 -13.57 1 5 0 71 279.336 4

Activity (Go SEA)

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