UCSF

ZINC37082199

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.56 5.74 -125.06 4 3 2 41 238.375 6
Hi High (pH 8-9.5) 0.56 3.26 -3.05 2 3 0 38 236.359 6
Mid Mid (pH 6-8) 0.56 5.72 -32.9 3 3 1 40 237.367 6
Mid Mid (pH 6-8) 0.56 4.16 -41.8 3 3 1 40 237.367 6

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Rings

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