UCSF

ZINC42944479

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 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) 2.23 6.56 -95.64 4 3 2 35 297.874 4
Lo Low (pH 4.5-6) 2.23 5.74 -121.87 4 3 2 35 297.874 4

Activity (Go SEA)

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