UCSF

ZINC42462861

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) 1.34 4.95 -43.34 3 3 1 54 194.254 4
Mid Mid (pH 6-8) 1.34 4.61 -4.42 2 3 0 52 193.246 4

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Rings

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