UCSF

ZINC26143319

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 24 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) 3.47 7.14 -12.33 5 7 0 119 360.468 4
Hi High (pH 8-9.5) 2.67 6.16 -63.79 4 7 -1 123 359.46 5
Mid Mid (pH 6-8) 3.53 5.96 -41.01 6 7 1 122 361.476 4

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

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