UCSF

ZINC40919239

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 31 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) 2.31 5.82 -17.3 4 10 0 146 472.504 12
Lo Low (pH 4.5-6) 2.31 6.21 -37.79 5 10 1 147 473.512 12

Activity (Go SEA)

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