UCSF

ZINC40530342

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 14 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) -2.69 1.78 -109.71 2 7 -2 121 202.166 5
Lo Low (pH 4.5-6) -2.69 -0.26 -56.98 3 7 -1 119 203.174 5

Activity (Go SEA)

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