UCSF

ZINC42796481

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) -0.27 2.03 -8.83 3 6 0 84 240.307 5
Lo Low (pH 4.5-6) -0.27 2.15 -33.21 4 6 1 85 241.315 5

Activity (Go SEA)

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