UCSF

ZINC37011267

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 0.70 -1.62 -45.78 2 7 -1 121 326.379 4
Lo Low (pH 4.5-6) 0.70 -1.16 -50.41 3 7 0 123 327.387 4
Lo Low (pH 4.5-6) 0.70 -1.69 -16.65 3 7 0 119 327.387 4

Activity (Go SEA)

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