UCSF

ZINC39856711

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 31 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) 7.10 15.72 -18.35 1 4 0 51 434.605 9
Hi High (pH 8-9.5) 7.29 13.33 -47.85 0 4 -1 58 433.597 9

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