UCSF

ZINC43915354

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 1.58 5.05 -121.31 3 5 2 49 268.357 7
Hi High (pH 8-9.5) 1.58 3.07 -38.7 2 5 1 48 267.349 7
Hi High (pH 8-9.5) 1.58 1.35 -6.29 1 5 0 43 266.341 7
Mid Mid (pH 6-8) 1.58 3.55 -35.98 2 5 1 44 267.349 7

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