UCSF

ZINC20000997

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 12 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) -2.76 -3.05 -46.15 4 5 1 87 170.192 3
Mid Mid (pH 6-8) -2.76 -3.37 -7.83 3 5 0 85 169.184 3

Activity (Go SEA)

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

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