UCSF

ZINC36638854

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 20 Yes

Other Names:

MFCD12968407

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) 2.82 4.92 -16.13 1 5 0 72 292.36 3
Hi High (pH 8-9.5) 2.64 4.45 -50.37 0 5 -1 70 291.352 4

Activity (Go SEA)

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

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