UCSF

ZINC00137157

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) 2.15 8.11 -44.45 1 4 1 40 276.356 3
Hi High (pH 8-9.5) 2.15 5.92 -10.26 0 4 0 39 275.348 3

Activity (Go SEA)

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