UCSF

ZINC22041498

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 28 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) 4.21 10.21 -6.82 0 4 0 33 416.974 5
Mid Mid (pH 6-8) 4.21 12.48 -46.14 1 4 1 34 417.982 5
Mid Mid (pH 6-8) 4.21 11.65 -42 1 4 1 34 417.982 5

Activity (Go SEA)

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