UCSF

ZINC11785629

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 31 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) 2.36 -1.77 -24.04 2 7 0 90 429.492 11
Lo Low (pH 4.5-6) 2.36 -1.66 -52.97 3 7 1 91 430.5 11

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

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