UCSF

ZINC36300830

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 18 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) 2.23 4.84 -39.96 2 3 1 29 269.796 4
Mid Mid (pH 6-8) 2.23 5.81 -32.8 2 3 1 26 269.796 4

Activity (Go SEA)

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