UCSF

ZINC31996739

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 2.82 6.8 -40.28 2 2 1 20 245.39 3
Hi High (pH 8-9.5) 2.82 7.53 -33.78 2 2 1 16 245.39 3
Hi High (pH 8-9.5) 2.82 5.37 -2.4 1 2 0 15 244.382 3
Lo Low (pH 4.5-6) 2.82 9.02 -111.17 3 2 2 21 246.398 3

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