UCSF

ZINC39890030

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.89 11.98 -20.77 0 7 0 84 455.445 2
Lo Low (pH 4.5-6) 2.89 12.65 -35.63 1 7 1 85 456.453 2

Activity (Go SEA)

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