UCSF

ZINC37821064

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.04 6.54 -48.77 3 4 1 72 260.361 6
Hi High (pH 8-9.5) -0.04 6.22 -10.71 2 4 0 70 259.353 6

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Rings

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