UCSF

ZINC06362090

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 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) 1.73 2.86 -57.42 2 7 -1 98 356.84 6
Lo Low (pH 4.5-6) 1.73 3 -22.55 3 7 0 96 357.848 6

Activity (Go SEA)

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