UCSF

ZINC33823867

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) 3.42 8.22 -40.63 2 6 1 59 374.505 9
Hi High (pH 8-9.5) 3.42 6.1 -10.87 1 6 0 58 373.497 9

Activity (Go SEA)

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