UCSF

ZINC42765245

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 23 No

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) 5.92 7.69 -48.64 4 3 1 57 322.513 13
Hi High (pH 8-9.5) 5.92 7.48 -4.66 3 3 0 55 321.505 13

Activity (Go SEA)

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