UCSF

ZINC42547428

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 14 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) 0.22 2.06 -38.02 3 4 1 46 198.29 4
Lo Low (pH 4.5-6) 0.22 0.66 -41 3 4 1 49 198.29 4

Activity (Go SEA)

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