UCSF

ZINC22578473

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 3.68 10.38 -41.7 1 4 1 22 396.477 9
Mid Mid (pH 6-8) 3.68 9.35 -6.09 0 4 0 21 395.469 9
Lo Low (pH 4.5-6) 3.68 11.69 -51.34 1 4 1 22 396.477 9

Activity (Go SEA)

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