UCSF

ZINC95864309

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2014 17 Yes

Other Names:

MFCD01074513

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) -2.58 2.87 -34.05 3 5 0 89 234.255 4
Hi High (pH 8-9.5) -2.58 2.56 -45.73 2 5 -1 88 233.247 4

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

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