UCSF

ZINC44243377

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) 0.92 1.61 -45.56 2 5 1 63 309.209 5
Hi High (pH 8-9.5) 0.92 1.24 -35.47 1 5 0 66 308.201 5
Hi High (pH 8-9.5) 0.92 -0.85 -7.78 1 5 0 62 308.201 5

Activity (Go SEA)

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