UCSF

ZINC41354767

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 19 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) 3.64 9.05 -32.77 1 3 1 17 263.405 4
Mid Mid (pH 6-8) 3.64 7.44 -3.31 0 3 0 16 262.397 4

Activity (Go SEA)

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