UCSF

ZINC39123719

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.49 4.25 -216.93 1 8 -3 158 224.104 3
Hi High (pH 8-9.5) -0.49 3.84 -334.23 0 8 -4 156 223.096 3
Lo Low (pH 4.5-6) -0.49 3.24 -117.4 2 8 -2 155 225.112 3

Activity (Go SEA)

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