UCSF

ZINC37299560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 1.69 5.2 -110.4 5 4 2 61 265.401 7
Mid Mid (pH 6-8) 1.69 4.82 -38.26 4 4 1 60 264.393 7

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Rings

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