UCSF

ZINC37238666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.67 5.08 -37.18 3 2 1 37 281.178 5
Hi High (pH 8-9.5) 3.67 4.27 -2.53 2 2 0 32 280.17 5

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Rings

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