UCSF

ZINC42946149

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 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) 3.15 5.32 -115.12 5 3 2 52 300.874 9
Hi High (pH 8-9.5) 3.15 5.07 -33.18 4 3 1 51 299.866 9
Hi High (pH 8-9.5) 3.15 3.12 -45.23 4 3 1 51 299.866 9

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