UCSF

ZINC43976003

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 3.20 5.75 -26.98 2 4 1 38 301.495 10
Hi High (pH 8-9.5) 3.20 4.3 -2.26 1 4 0 34 300.487 10
Hi High (pH 8-9.5) 3.20 6.85 -24.82 2 4 1 35 301.495 10

Activity (Go SEA)

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