UCSF

ZINC07586273

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2006 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) 4.75 11.29 -13.46 0 4 0 59 290.322 3
Lo Low (pH 4.5-6) 4.75 11.51 -39.09 1 4 1 60 291.33 3

Activity (Go SEA)

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