UCSF

ZINC01226890

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 20 No

Other Names:

MFCD00426431

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) 3.42 -3.2 -14.27 1 6 0 91 357.185 4
Hi High (pH 8-9.5) 3.42 -2.69 -47.09 0 6 -1 94 356.177 4

Activity (Go SEA)

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

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