UCSF

ZINC37113829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.48 1.85 -18.23 2 6 0 98 320.436 6
Hi High (pH 8-9.5) 1.48 2.32 -62.29 1 6 -1 95 319.428 6

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Rings

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