UCSF

ZINC95496268

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2013 13 No

Other Names:

MFCD19351438

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.15 4.49 -5.77 2 3 0 33 221.087 4
Lo Low (pH 4.5-6) 3.15 5.04 -31.72 3 3 1 38 222.095 4

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

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