UCSF

ZINC22924133

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) 3.44 4.02 -9.71 2 6 0 65 428.573 10
Mid Mid (pH 6-8) 3.44 6.32 -41.39 3 6 1 67 429.581 10
Mid Mid (pH 6-8) 3.44 6.49 -47.12 3 6 1 67 429.581 10

Activity (Go SEA)

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