UCSF

ZINC58093099

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2011 25 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) 2.42 9.36 -50.99 3 5 1 62 335.431 4
Hi High (pH 8-9.5) 2.42 7.12 -16.2 2 5 0 61 334.423 4
Lo Low (pH 4.5-6) 2.42 9.85 -88.18 4 5 2 63 336.439 4

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