UCSF

ZINC33759956

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 34 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) 5.26 12.6 -51.99 3 6 1 66 473.726 12
Hi High (pH 8-9.5) 5.26 10.27 -16.01 2 6 0 65 472.718 12

Activity (Go SEA)

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