UCSF

ZINC41670381

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 1.43 4.79 -11.08 4 5 0 96 280.331 5
Lo Low (pH 4.5-6) 1.43 4.6 -41.26 5 5 1 98 281.339 5

Activity (Go SEA)

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