UCSF

ZINC36975582

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) -1.75 1.39 -59.49 3 8 -1 135 282.276 6
Hi High (pH 8-9.5) -1.30 -0.43 -105.17 2 8 -2 138 281.268 6

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Rings

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