UCSF

ZINC04288612

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 20 Yes

Other Names:

MFCD00099585

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) 2.40 2.14 -48.11 0 5 -1 71 265.248 1
Mid Mid (pH 6-8) 1.94 3.59 -10.44 1 5 0 68 266.256 1

Activity (Go SEA)

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

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