UCSF

ZINC33823912

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 3.51 9.18 -44.43 1 5 1 43 375.533 7
Hi High (pH 8-9.5) 3.51 7.05 -6.13 0 5 0 42 374.525 7
Lo Low (pH 4.5-6) 3.51 11.46 -129.5 2 5 2 44 376.541 7

Activity (Go SEA)

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