UCSF

ZINC17168849

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 25 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) 2.06 4 -13.69 2 6 0 88 381.885 7
Lo Low (pH 4.5-6) 2.06 4.44 -50.7 3 6 1 89 382.893 7

Activity (Go SEA)

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