UCSF

ZINC20468183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 17 Yes

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) 0.37 2.3 -45.6 2 5 1 46 239.343 3
Mid Mid (pH 6-8) 0.37 -0.09 -8.31 1 5 0 45 238.335 3
Lo Low (pH 4.5-6) 0.37 2.41 -86.81 3 5 2 47 240.351 3

Activity (Go SEA)

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