UCSF

ZINC60253691

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 28 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) -0.01 11.08 -183.33 1 10 -3 168 401.436 19
Mid Mid (pH 6-8) -0.01 13.21 -148.87 2 10 -2 169 402.444 19

Activity (Go SEA)

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