UCSF

ZINC54418232

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 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) 1.37 1.97 -47.8 4 4 1 60 256.757 5
Hi High (pH 8-9.5) 1.37 3.84 -37.84 4 4 1 60 256.757 5
Lo Low (pH 4.5-6) 1.37 4.23 -120.58 5 4 2 61 257.765 5

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Rings

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