UCSF

ZINC49236616

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 20 No

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) 2.88 10.26 -11.91 0 4 0 36 309.2 4
Mid Mid (pH 6-8) 2.88 10.78 -46.99 1 4 1 37 310.208 4
Lo Low (pH 4.5-6) 2.88 11.22 -92.13 2 4 2 38 311.216 4

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

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