UCSF

ZINC37818617

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -2.28 3.03 -53.72 3 7 1 92 255.298 3
Hi High (pH 8-9.5) -2.28 2.72 -25.55 2 7 0 90 254.29 3

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Rings

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