UCSF

ZINC37815973

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.15 6.68 -43.16 3 3 1 48 267.368 5
Hi High (pH 8-9.5) 2.15 5.97 -7.03 2 3 0 46 266.36 5

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Rings

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