UCSF

ZINC06693977

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 12 Yes

Other Names:

MFCD04039557

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) 0.06 -1.34 -10.24 1 5 0 63 165.152 1
Mid Mid (pH 6-8) -0.31 -3.06 -44.56 0 5 -1 69 164.144 1
Mid Mid (pH 6-8) -0.31 -3.05 -44.6 0 5 -1 69 164.144 1

Activity (Go SEA)

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

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