UCSF

ZINC41677411

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 4.11 8.12 -38.2 2 2 1 16 297.291 6
Hi High (pH 8-9.5) 4.11 5.69 -1.62 1 2 0 15 296.283 6

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Rings

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