UCSF

ZINC42460708

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) -0.97 0.64 -9.27 3 6 0 84 212.253 4
Lo Low (pH 4.5-6) -0.97 0.77 -33.61 4 6 1 85 213.261 4

Activity (Go SEA)

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