UCSF

ZINC37095829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.32 4.83 -117.1 4 4 2 51 282.428 8
Hi High (pH 8-9.5) 2.32 2.93 -44.47 3 4 1 49 281.42 8
Mid Mid (pH 6-8) 2.32 4.45 -29.49 3 4 1 49 281.42 8

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Rings

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