UCSF

ZINC41648675

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.92 6.64 -36.96 3 3 1 46 393.143 6
Hi High (pH 8-9.5) 3.92 6.09 -9.07 2 3 0 41 392.135 6

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Rings

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