UCSF

ZINC13636005

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 19 No

Other Names:

MFCD02320799

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) 2.79 8.51 -42.79 1 4 0 33 273.361 3
Mid Mid (pH 6-8) 2.79 9.31 -53.27 2 4 1 35 274.369 3
Mid Mid (pH 6-8) 2.79 7.02 -12.71 1 4 0 34 273.361 3

Activity (Go SEA)

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

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