UCSF

ZINC40457558

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 24 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) 1.16 3.66 -50.09 1 9 -1 117 324.324 5
Lo Low (pH 4.5-6) 1.16 3.73 -17.36 2 9 0 118 325.332 5

Activity (Go SEA)

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