UCSF

ZINC35701052

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 2.33 8.85 -64.65 0 5 -1 74 292.355 5
Lo Low (pH 4.5-6) 2.33 6.78 -14.08 1 5 0 71 293.363 5

Activity (Go SEA)

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