UCSF

ZINC36863692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) -0.77 2.68 -17.64 3 6 0 82 238.291 4
Mid Mid (pH 6-8) -1.22 1.36 -56.76 3 6 1 81 239.299 4

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Rings

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