UCSF

ZINC62807766

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 19 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) 3.23 8.47 -11.01 0 3 0 31 291.807 4
Lo Low (pH 4.5-6) 3.23 8.63 -31.06 1 3 1 32 292.815 4

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

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