UCSF

ZINC69796604

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.20 5.58 -104.93 4 3 2 45 289.217 2
Hi High (pH 8-9.5) 2.20 5.2 -33.05 3 3 1 44 288.209 2
Mid Mid (pH 6-8) 2.20 3.6 -47.38 3 3 1 44 288.209 2

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

No pre-computed analogs available. Try a structural similarity search.