UCSF

ZINC22073505

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 14 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) 2.22 4.86 -38.66 2 2 1 20 199.362 5
Mid Mid (pH 6-8) 2.22 7.02 -106.01 3 2 2 21 200.37 5
Mid Mid (pH 6-8) 2.22 6.11 -27.09 2 2 1 16 199.362 5

Activity (Go SEA)

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