UCSF

ZINC22151963

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 0.44 3.33 -106.28 5 5 2 64 278.4 5
Mid Mid (pH 6-8) 0.44 3.2 -116.47 5 5 2 64 278.4 5
Mid Mid (pH 6-8) 0.44 0.86 -61.87 4 5 1 63 277.392 5

Activity (Go SEA)

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