UCSF

ZINC35121800

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 17 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) 0.48 6.09 -47.03 2 7 1 83 240.287 3
Lo Low (pH 4.5-6) 0.48 8.87 -99.95 3 7 2 81 241.295 3

Activity (Go SEA)

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