UCSF

ZINC49542451

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 18 No

Other Names:

MFCD00615441

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) 1.58 0.97 -110.29 0 5 -2 77 257.274 1
Mid Mid (pH 6-8) 1.58 0.17 -47.24 1 5 -1 74 258.282 1
Mid Mid (pH 6-8) 1.13 3.02 -40.16 1 5 -1 74 258.282 1

Activity (Go SEA)

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

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