UCSF

ZINC28703293

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 23 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) 4.07 6.55 -38.01 0 4 -1 54 342.421 4
Lo Low (pH 4.5-6) 3.61 7.64 -10.34 1 4 0 51 343.429 4

Activity (Go SEA)

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