UCSF

ZINC23282323

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 18 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) 2.38 8.14 -37.85 1 2 1 8 243.374 1
Lo Low (pH 4.5-6) 2.38 10.02 -109.78 2 2 2 9 244.382 1

Activity (Go SEA)

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