UCSF

ZINC37102779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.90 10.44 -35.65 2 3 1 43 292.443 9
Hi High (pH 8-9.5) 3.90 9.93 -5.62 1 3 0 38 291.435 9

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Rings

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