UCSF

ZINC40176924

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.44 4.31 -14.67 2 7 0 96 390.461 6
Hi High (pH 8-9.5) 3.44 5.31 -54.28 1 7 -1 99 389.453 6

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