UCSF

ZINC23282193

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.64 11.68 -38.16 1 2 1 8 311.493 9
Mid Mid (pH 6-8) 4.64 12.01 -37.97 1 2 1 8 311.493 9
Lo Low (pH 4.5-6) 4.64 14.22 -119.01 2 2 2 9 312.501 9

Activity (Go SEA)

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