UCSF

ZINC05000562

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 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) 4.48 7.59 -39.04 3 3 1 46 293.475 4
Hi High (pH 8-9.5) 4.48 6.41 -5.68 2 3 0 41 292.467 4

Activity (Go SEA)

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