UCSF

ZINC37822321

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.12 3.62 -46.07 5 5 1 91 357.272 7
Mid Mid (pH 6-8) 1.12 3.29 -15.36 4 5 0 89 356.264 7

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Rings

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