UCSF

ZINC08437469

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 25 No

Other Names:

MFCD02314127

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) 1.11 7.45 -48.9 2 12 -1 165 340.283 7
Mid Mid (pH 6-8) 1.11 8 -25.42 3 12 0 163 341.291 7
Mid Mid (pH 6-8) 0.98 7.57 -47.73 2 12 -1 167 340.283 6
Mid Mid (pH 6-8) 0.98 7.68 -59.16 2 12 -1 163 340.283 6

Activity (Go SEA)

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

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