UCSF

ZINC03904273

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 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) 1.83 3.72 -11.73 2 8 0 95 350.371 8
Lo Low (pH 4.5-6) 1.46 1.78 -40.56 3 8 1 100 351.379 8

Activity (Go SEA)

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