UCSF

ZINC36873239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 0.84 4.1 -44.96 3 4 1 61 225.312 5
Hi High (pH 8-9.5) 0.84 3.76 -11.38 2 4 0 59 224.304 5

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Rings

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