UCSF

ZINC45658810

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 0.70 2.27 -104.63 4 4 2 45 257.422 3
Hi High (pH 8-9.5) 0.70 1.68 -32.25 3 4 1 43 256.414 3
Hi High (pH 8-9.5) 0.70 0.35 -44.57 3 4 1 43 256.414 3

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