UCSF

ZINC55032594

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 13 Yes

Other Names:

MFCD17219198

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) 1.57 2.2 -38.25 4 2 1 48 180.271 4
Hi High (pH 8-9.5) 1.57 1.85 -2.59 3 2 0 46 179.263 4

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Rings

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