UCSF

ZINC43977436

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 17 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) 2.51 6.21 -97.2 3 3 2 30 244.423 9
Mid Mid (pH 6-8) 2.51 5.23 -26.25 2 3 1 26 243.415 9

Activity (Go SEA)

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