UCSF

ZINC53437423

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 2.32 6.5 -38 2 3 1 26 316.263 9
Hi High (pH 8-9.5) 2.32 4.17 -3.07 1 3 0 24 315.255 9
Mid Mid (pH 6-8) 2.32 5.53 -38.42 2 3 1 29 316.263 9
Lo Low (pH 4.5-6) 2.32 7.85 -117.94 3 3 2 30 317.271 9

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Rings

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