UCSF

ZINC20000896

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 26 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) 2.97 4.12 -129.14 0 7 -2 107 368.267 7
Mid Mid (pH 6-8) 2.51 5.02 -69.16 1 7 -1 104 369.275 7

Activity (Go SEA)

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

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