UCSF

ZINC38433721

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 10 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) 0.39 4.76 -50.33 0 3 -1 57 143.162 4
Lo Low (pH 4.5-6) 0.39 2.78 -11.99 1 3 0 54 144.17 4

Activity (Go SEA)

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