UCSF

ZINC52910015

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 22 Yes

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) 4.21 6.64 -38.39 2 5 1 56 326.486 6
Hi High (pH 8-9.5) 4.21 4.39 -7.8 1 5 0 54 325.478 6

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

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