UCSF

ZINC60291548

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 34 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) -1.46 1.54 -326.66 5 16 -3 258 523.356 13
Mid Mid (pH 6-8) -1.46 0.38 -223.4 6 16 -2 255 524.364 13
Lo Low (pH 4.5-6) -1.46 -0.64 -125.01 7 16 -1 252 525.372 13

Activity (Go SEA)

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