UCSF

ZINC41095731

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 22 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) 3.36 6.11 -43.47 0 7 -1 107 340.768 4
Lo Low (pH 4.5-6) 3.54 6.6 -14.49 1 7 0 108 341.776 3

Activity (Go SEA)

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