UCSF

ZINC20226031

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 2.28 7.57 -130.9 4 2 2 32 240.778 5
Mid Mid (pH 6-8) 2.28 5.7 -46.33 3 2 1 31 239.77 5

Activity (Go SEA)

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