UCSF

ZINC37834458

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.50 4.58 -47.47 0 6 -1 77 276.316 5
Mid Mid (pH 6-8) -0.50 6.79 -72.5 1 6 0 78 277.324 5
Lo Low (pH 4.5-6) -0.50 4.82 -50.63 2 6 1 75 278.332 5

Activity (Go SEA)

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