UCSF

ZINC22170276

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) 2.62 7.13 -134.05 4 3 2 41 274.408 5
Mid Mid (pH 6-8) 2.62 4.95 -49.17 3 3 1 40 273.4 5

Activity (Go SEA)

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