UCSF

ZINC22163149

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 0.82 3.99 -105.25 5 5 2 64 292.427 6
Hi High (pH 8-9.5) 0.82 1.68 -61.63 4 5 1 63 291.419 6
Mid Mid (pH 6-8) 0.82 4 -116.84 5 5 2 64 292.427 6

Activity (Go SEA)

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