UCSF

ZINC42449340

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.02 2.89 -42.5 3 3 1 44 211.329 5
Lo Low (pH 4.5-6) 1.02 4.72 -116.09 4 3 2 45 212.337 5

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Rings

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