UCSF

ZINC06276611

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 21 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) 2.93 3.52 -9.94 2 5 0 78 297.339 2
Mid Mid (pH 6-8) 2.44 3.02 -46.48 1 5 -1 77 296.331 3

Activity (Go SEA)

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