UCSF

ZINC39123714

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) 0.88 5.44 -161.5 1 6 -2 117 223.184 3
Lo Low (pH 4.5-6) 0.88 4.44 -102.85 2 6 -1 115 224.192 3

Activity (Go SEA)

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