UCSF

ZINC42458976

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.55 4.64 -43.99 3 3 1 40 251.394 7
Hi High (pH 8-9.5) 0.55 3.96 -2.36 2 3 0 38 250.386 7
Mid Mid (pH 6-8) 0.55 6.09 -105.7 4 3 2 41 252.402 7

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Rings

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