UCSF

ZINC37336898

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 3.69 9.57 -42.54 1 2 1 22 256.316 7
Hi High (pH 8-9.5) 3.69 7.31 -7.73 0 2 0 20 255.308 7

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Rings

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