UCSF

ZINC60219035

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 13 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) -2.63 3.39 -220 1 8 -3 158 189.055 4
Mid Mid (pH 6-8) -2.63 5.12 -364.73 0 8 -4 161 188.047 4
Lo Low (pH 4.5-6) -2.63 1.03 -111.61 2 8 -2 155 190.063 4

Activity (Go SEA)

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