UCSF

ZINC37044888

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 3.47 6.36 -37.4 3 5 1 72 297.419 6
Hi High (pH 8-9.5) 3.47 5.17 -6.79 2 5 0 67 296.411 6
Hi High (pH 8-9.5) 3.65 4.32 -31.63 2 5 0 78 296.411 6

Activity (Go SEA)

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