UCSF

ZINC42763834

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 No

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) 3.60 8 -6.6 0 4 0 49 308.687 6
Mid Mid (pH 6-8) 3.60 9.62 -42.22 1 4 1 50 309.695 6

Activity (Go SEA)

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