UCSF

ZINC39226875

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 26 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) 4.87 12.88 -47.53 1 3 1 31 348.466 3
Hi High (pH 8-9.5) 4.87 10.62 -7.6 0 3 0 30 347.458 3

Activity (Go SEA)

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