UCSF

ZINC27738213

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 33 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) 1.46 6.53 -39.03 9 8 1 148 447.563 11
Hi High (pH 8-9.5) 1.33 6.63 -43.48 9 8 1 150 447.563 10
Mid Mid (pH 6-8) 1.33 6.9 -102.54 10 8 2 152 448.571 10

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

No pre-computed analogs available. Try a structural similarity search.