UCSF

ZINC00155991

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Other Names:

MFCD00005202

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) 1.24 3.94 -9.09 2 4 0 57 190.25 1
Mid Mid (pH 6-8) 1.24 4.36 -28.48 3 4 1 59 191.258 1
Mid Mid (pH 6-8) 1.24 4.77 -86.16 4 4 2 60 192.266 1

Activity (Go SEA)

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

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