UCSF

ZINC34686469

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 24 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) 1.03 5.17 -63.97 2 5 1 55 347.357 7
Hi High (pH 8-9.5) 1.03 3.82 -12.49 1 5 0 51 346.349 7

Activity (Go SEA)

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