UCSF

ZINC38600360

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 22 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) 1.30 4.32 -15.4 2 5 0 65 297.358 3
Lo Low (pH 4.5-6) 1.30 4.78 -30.39 3 5 1 67 298.366 3

Activity (Go SEA)

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