UCSF

ZINC48907850

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 1.32 3.02 -43.95 2 4 1 51 261.392 3
Hi High (pH 8-9.5) 1.32 0.42 -8.68 1 4 0 49 260.384 3
Hi High (pH 8-9.5) 1.32 2.85 -41.01 1 4 0 53 260.384 3

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