UCSF

ZINC20219207

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 30 No

Download: MOL2 SDF SMILES Flexibase

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) 2.02 9.16 -72.89 1 7 0 91 431.558 9
Lo Low (pH 4.5-6) 2.02 8.42 -46.11 2 7 1 88 432.566 9

Activity (Go SEA)

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