UCSF

ZINC33968836

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 20 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) -5.03 -4.15 -249.8 2 12 -3 206 333.058 6
Mid Mid (pH 6-8) -3.08 -4.81 -361.61 2 12 -4 212 332.05 6
Lo Low (pH 4.5-6) -5.03 -5.3 -16.25 3 12 0 203 334.066 6
Lo Low (pH 4.5-6) -5.03 -5.31 -129.79 3 12 -2 203 334.066 6

Activity (Go SEA)

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