UCSF

ZINC87492662

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 11 Yes

Other Names:

MFCD00243112

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) 1.29 3.95 -36.83 2 2 1 34 156.249 0
Mid Mid (pH 6-8) 1.29 3 -3.68 1 2 0 29 155.241 0

Activity (Go SEA)

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

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