UCSF

ZINC35021554

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 2.94 8.56 -33.5 1 2 1 22 226.365 6
Mid Mid (pH 6-8) 2.94 6.49 -5.86 0 2 0 20 225.357 6

Activity (Go SEA)

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