UCSF

ZINC62980726

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 17 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) 1.75 3.47 -30.98 2 3 1 20 240.415 4
Hi High (pH 8-9.5) 1.75 1.35 -1.08 1 3 0 19 239.407 4
Hi High (pH 8-9.5) 1.75 2.7 -35.96 2 3 1 23 240.415 4
Mid Mid (pH 6-8) 1.75 4.78 -82.01 3 3 2 24 241.423 4

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

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