UCSF

ZINC40967516

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 24 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) 5.62 10.01 -14.49 1 4 0 51 405.317 6
Hi High (pH 8-9.5) 5.69 9.29 -49.43 0 4 -1 58 404.309 6

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