UCSF

ZINC02662749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 29 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 3.43 -99.08 0 7 -2 109 481.886 6
Lo Low (pH 4.5-6) 4.40 3.91 -17.93 2 7 0 108 483.902 5

Activity (Go SEA)

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