UCSF

ZINC22027612

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 19 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) 3.15 8.62 -33.8 1 2 1 8 271.375 8
Hi High (pH 8-9.5) 3.15 5.95 -2.28 0 2 0 6 270.367 8
Mid Mid (pH 6-8) 3.15 8.61 -33.6 1 2 1 8 271.375 8
Lo Low (pH 4.5-6) 3.15 10.5 -108.63 2 2 2 9 272.383 8

Activity (Go SEA)

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