UCSF

ZINC03894020

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 20 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) 3.48 2.15 -9.52 0 4 0 62 290.388 5
Lo Low (pH 4.5-6) 3.48 2.29 -40.46 1 4 1 64 291.396 5

Activity (Go SEA)

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