UCSF

ZINC48121639

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2010 23 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) 2.29 8.67 -10.46 2 7 0 90 309.329 1
Mid Mid (pH 6-8) 1.74 7.74 -52.39 1 7 -1 93 308.321 3

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

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