UCSF

ZINC40787155

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 25 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) 3.12 10.29 -11.14 1 4 0 47 347.443 5
Lo Low (pH 4.5-6) 3.12 10.75 -45.67 2 4 1 48 348.451 5

Activity (Go SEA)

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