UCSF

ZINC35609645

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 16 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) -0.93 -1.27 -42.62 3 5 1 60 246.356 3
Mid Mid (pH 6-8) -0.93 -2.44 -10.75 2 5 0 56 245.348 3
Lo Low (pH 4.5-6) -0.93 1.01 -98.4 4 5 2 62 247.364 3

Activity (Go SEA)

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