UCSF

ZINC08741251

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 34 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) 6.20 -1.88 -13.79 3 6 0 86 467.55 6
Lo Low (pH 4.5-6) 6.20 -1.77 -37.06 4 6 1 87 468.558 6

Activity (Go SEA)

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