UCSF

ZINC37233035

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 3.95 7.61 -39.24 2 3 1 29 293.475 9
Hi High (pH 8-9.5) 3.95 8.81 -36.97 2 3 1 26 293.475 9
Mid Mid (pH 6-8) 3.95 10.09 -121.46 3 3 2 30 294.483 9

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Rings

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