UCSF

ZINC28580306

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 27 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) 2.76 4.83 -16.69 3 8 0 113 366.377 4
Hi High (pH 8-9.5) 2.76 5.86 -55.23 2 8 -1 116 365.369 4

Activity (Go SEA)

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