UCSF

ZINC25150040

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 33 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) 0.83 5.92 -17.98 2 12 0 154 471.499 8
Mid Mid (pH 6-8) 1.28 4.13 -57.35 1 12 -1 157 470.491 8

Activity (Go SEA)

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