UCSF

ZINC22585300

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 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) 4.42 12.07 -5.38 0 4 0 21 421.56 9
Mid Mid (pH 6-8) 4.42 13.05 -42.06 1 4 1 22 422.568 9
Lo Low (pH 4.5-6) 4.42 14.41 -47.7 1 4 1 22 422.568 9

Activity (Go SEA)

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