UCSF

ZINC66156342

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 38 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) 3.19 10.53 -17.83 2 11 0 136 522.489 7
Hi High (pH 8-9.5) 2.81 8.88 -61.74 1 11 -1 142 521.481 8

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

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