UCSF

ZINC42452616

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 1.36 2.26 -4.89 3 3 0 49 194.278 5
Mid Mid (pH 6-8) 1.36 2.29 -12.79 4 3 0 51 195.286 5

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Rings

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