UCSF

ZINC69161080

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 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) 1.84 4.81 -9.47 1 7 0 77 276.344 5
Lo Low (pH 4.5-6) 1.84 5.28 -46.93 2 7 1 78 277.352 5

Activity (Go SEA)

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