UCSF

ZINC37221482

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 2.70 8.74 -76.52 3 3 2 21 283.504 5
Mid Mid (pH 6-8) 2.70 7.62 -95.29 3 3 2 24 283.504 5
Lo Low (pH 4.5-6) 2.70 9.81 -172.26 4 3 3 25 284.512 5

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

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