UCSF

ZINC22933359

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 31 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) 3.34 7.62 -46.97 2 6 1 63 417.533 8
Mid Mid (pH 6-8) 3.34 7.67 -47.22 2 6 1 63 417.533 8
Mid Mid (pH 6-8) 3.34 5.29 -9.28 1 6 0 62 416.525 8

Activity (Go SEA)

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