UCSF

ZINC22976842

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 17 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) 1.82 4.18 -11.87 2 4 0 59 233.315 3
Lo Low (pH 4.5-6) 1.82 4.47 -40.05 3 4 1 60 234.323 3

Activity (Go SEA)

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