UCSF

ZINC40739660

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 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) 0.16 5.45 -51.9 0 5 -1 78 212.225 5
Lo Low (pH 4.5-6) 0.16 3.48 -12.19 1 5 0 75 213.233 5
Lo Low (pH 4.5-6) 0.16 3.48 -12.23 1 5 0 75 213.233 5

Activity (Go SEA)

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