UCSF

ZINC43498873

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 15 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) 0.86 3.27 -86.47 4 3 2 36 213.369 3
Hi High (pH 8-9.5) 0.86 4.09 -102.58 4 3 2 33 213.369 3
Hi High (pH 8-9.5) 0.86 2.02 -35.74 3 3 1 32 212.361 3

Activity (Go SEA)

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