UCSF

ZINC17169045

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 26 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) 0.53 2.49 -13.65 2 8 0 99 359.382 8
Lo Low (pH 4.5-6) 0.53 2.94 -47.11 3 8 1 100 360.39 8

Activity (Go SEA)

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