UCSF

ZINC49945284

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.71 5.8 -16.02 0 5 0 52 286.331 5
Lo Low (pH 4.5-6) 0.71 6.26 -38.44 1 5 1 53 287.339 5

Activity (Go SEA)

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