UCSF

ZINC42450038

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 1.13 4.93 -114.93 4 3 2 45 198.31 4
Hi High (pH 8-9.5) 1.13 3.07 -3.25 2 3 0 42 196.294 4
Mid Mid (pH 6-8) 1.13 4.68 -35.36 3 3 1 44 197.302 4
Mid Mid (pH 6-8) 1.13 3.1 -39.88 3 3 1 44 197.302 4

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Rings

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