UCSF

ZINC33825692

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 22 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) 0.40 6.59 -26.99 1 4 1 46 298.362 3
Hi High (pH 8-9.5) 3.99 8.5 -18.82 0 4 0 43 297.354 4

Activity (Go SEA)

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