UCSF

ZINC48948912

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 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) 2.43 7.65 -41.23 1 4 1 40 278.372 6
Mid Mid (pH 6-8) 2.43 5.34 -9.2 0 4 0 39 277.364 6

Activity (Go SEA)

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