UCSF

ZINC19989357

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 No

Other Names:

MFCD02325095

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) 2.45 8.09 -52.71 2 4 1 54 287.383 3
Mid Mid (pH 6-8) 2.45 6.89 -11.4 1 4 0 49 286.375 3

Activity (Go SEA)

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

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