UCSF

ZINC37793801

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.67 4.88 -68.85 2 6 -1 98 283.348 5
Lo Low (pH 4.5-6) 0.67 2.5 -14.47 3 6 0 95 284.356 5

Activity (Go SEA)

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