UCSF

ZINC57681145

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 18 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) -0.93 11.54 -96.74 1 2 2 4 254.462 4
Mid Mid (pH 6-8) -0.93 9.96 -30.31 0 2 1 3 253.454 4

Activity (Go SEA)

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