UCSF

ZINC41681613

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 0.64 6.6 -105.66 4 3 2 35 265.445 9
Hi High (pH 8-9.5) 0.64 8.41 -106.74 4 3 2 35 265.445 9
Hi High (pH 8-9.5) 0.64 4.13 -45.09 3 3 1 34 264.437 9

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Rings

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