UCSF

ZINC49419802

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 19 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) -0.99 -0.15 -11.88 3 6 0 98 256.265 4
Lo Low (pH 4.5-6) -0.99 0.26 -45 4 6 1 99 257.273 4

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