UCSF

ZINC07209218

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2006 21 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) 4.37 7.92 -13.34 1 3 0 42 300.427 3
Lo Low (pH 4.5-6) 4.37 8.82 -27.31 2 3 1 43 301.435 3

Activity (Go SEA)

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