UCSF

ZINC53496874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 18 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) 2.27 6.22 -34.21 2 3 1 26 316.263 8
Hi High (pH 8-9.5) 2.27 3.77 -3.85 1 3 0 24 315.255 8
Mid Mid (pH 6-8) 2.27 5.57 -35.89 2 3 1 29 316.263 8
Lo Low (pH 4.5-6) 2.27 7.52 -115.7 3 3 2 30 317.271 8

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Rings

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