UCSF

ZINC21526914

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 28 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) 0.02 6.3 -17.74 1 7 0 83 378.432 5
Lo Low (pH 4.5-6) 0.02 6.75 -50.71 2 7 1 84 379.44 5

Activity (Go SEA)

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