UCSF

ZINC36331177

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 43 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) 4.68 13.26 -21.76 1 10 0 134 597.705 9
Lo Low (pH 4.5-6) 4.68 13.7 -54.84 2 10 1 136 598.713 9

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

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