UCSF

ZINC55033585

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 16 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) 1.81 3.1 -41.83 3 3 1 46 244.742 6
Hi High (pH 8-9.5) 1.81 1.93 -4.07 2 3 0 41 243.734 6

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Rings

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