UCSF

ZINC02799092

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2005 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 4.66 7.2 -16 2 7 0 101 398.44 6
Hi High (pH 8-9.5) 5.12 5.41 -53.83 1 7 -1 104 397.432 6

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