UCSF

ZINC20206592

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 13 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) 0.50 3.02 -9.49 1 3 0 42 198.653 3
Lo Low (pH 4.5-6) 0.50 3.46 -44.53 2 3 1 43 199.661 3

Activity (Go SEA)

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