UCSF

ZINC43253107

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 0.16 -3.21 -42.43 5 4 1 71 265.786 7
Hi High (pH 8-9.5) 0.17 -1.8 -29.16 5 4 1 71 265.786 7
Hi High (pH 8-9.5) 0.17 -3.57 -4.54 4 4 0 70 264.778 7

Activity (Go SEA)

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