UCSF

ZINC34850640

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 27 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) 0.34 2.31 -60.74 2 9 -1 143 370.341 5
Hi High (pH 8-9.5) -0.03 0.55 -117.47 1 9 -2 149 369.333 5

Activity (Go SEA)

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