UCSF

ZINC28020655

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 15 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) 1.67 2.83 -9.91 4 4 0 71 219.166 3
Hi High (pH 8-9.5) 1.67 3.05 -32.53 3 4 -1 73 218.158 3

Activity (Go SEA)

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