UCSF

ZINC37103143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 3.57 5.93 -40.27 3 4 1 63 286.779 7
Hi High (pH 8-9.5) 3.56 6.67 -37.84 1 4 -1 61 284.763 7
Hi High (pH 8-9.5) 3.57 6.54 -23.85 2 4 0 66 285.771 7
Mid Mid (pH 6-8) 3.57 4.8 -6.11 2 4 0 59 285.771 7

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Rings

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