UCSF

ZINC04196882

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.61 7.49 -113.22 3 4 2 40 278.396 3
Hi High (pH 8-9.5) 2.61 6.6 -34.75 2 4 1 35 277.388 3
Hi High (pH 8-9.5) 2.61 5.17 -44.4 2 4 1 38 277.388 3

Activity (Go SEA)

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