UCSF

ZINC37266803

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 16 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) -0.01 3.63 -37.72 2 4 1 46 227.328 2
Hi High (pH 8-9.5) -0.01 2.39 -8.67 1 4 0 42 226.32 2

Activity (Go SEA)

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