UCSF

ZINC53380763

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 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) 1.22 5.69 -114.41 3 4 2 37 255.406 10
Hi High (pH 8-9.5) 1.22 4.58 -35.46 2 4 1 33 254.398 10
Mid Mid (pH 6-8) 1.22 6.69 -85.57 3 4 2 34 255.406 10

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Rings

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