UCSF

ZINC34681410

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.85 9.41 -15.38 1 7 0 83 450.564 5
Lo Low (pH 4.5-6) 3.85 9.72 -44.38 2 7 1 84 451.572 5

Activity (Go SEA)

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