UCSF

ZINC37730661

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 14 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) -0.96 -3.3 -54.62 5 6 1 102 217.274 3
Mid Mid (pH 6-8) -0.96 -3.65 -10.89 4 6 0 101 216.266 3
Mid Mid (pH 6-8) -0.96 -3.65 -11.39 4 6 0 101 216.266 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.