UCSF

ZINC37111163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 3.74 8.6 -121.94 4 2 2 32 264.457 7
Hi High (pH 8-9.5) 3.74 8.23 -28.06 3 2 1 30 263.449 7
Mid Mid (pH 6-8) 3.74 7.63 -45.68 3 2 1 31 263.449 7

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Rings

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