UCSF

ZINC42437723

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) 2.65 7.09 -132.19 4 2 2 32 242.794 6
Hi High (pH 8-9.5) 2.65 4.87 -43.73 3 2 1 31 241.786 6
Mid Mid (pH 6-8) 2.65 7.1 -33.54 3 2 1 30 241.786 6

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Rings

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