UCSF

ZINC37223784

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.75 7.88 -118.33 4 2 2 32 250.43 6
Hi High (pH 8-9.5) 1.75 5.55 -1.23 2 2 0 29 248.414 6
Mid Mid (pH 6-8) 1.75 7.62 -32.08 3 2 1 30 249.422 6
Mid Mid (pH 6-8) 1.75 6.14 -39.33 3 2 1 31 249.422 6

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Rings

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