UCSF

ZINC19729368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 9 No

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) 0.70 3.19 -8.62 0 2 0 30 121.139 2
Lo Low (pH 4.5-6) 0.70 3.64 -37.62 1 2 1 31 122.147 2

Activity (Go SEA)

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