UCSF

ZINC29555074

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 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 0.99 -330.4 5 16 -3 258 523.356 13
Mid Mid (pH 6-8) -1.46 -0.17 -225.15 6 16 -2 255 524.364 13
Lo Low (pH 4.5-6) -1.46 -1.34 -134.36 7 16 -1 252 525.372 13

Activity (Go SEA)

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