UCSF

ZINC25151836

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 30 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) 7.12 14.84 -7.45 0 3 0 29 409.92 4
Lo Low (pH 4.5-6) 7.12 15.16 -30.92 1 3 1 30 410.928 4

Activity (Go SEA)

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