UCSF

ZINC35606057

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 14 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) 0.50 -1.33 -47.36 5 4 1 77 201.29 3
Mid Mid (pH 6-8) 0.50 -1.27 -8.09 4 4 0 75 200.282 3

Activity (Go SEA)

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