UCSF

ZINC37078994

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.10 6.02 -114.66 4 2 2 32 194.322 5
Mid Mid (pH 6-8) 0.10 5.68 -35.59 3 2 1 30 193.314 5

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Rings

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