UCSF

ZINC38487141

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 24 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) 5.63 9.31 -9.79 1 4 0 51 344.773 4
Mid Mid (pH 6-8) 5.63 9.66 -29.05 2 4 1 52 345.781 4

Activity (Go SEA)

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