UCSF

ZINC65608843

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2011 19 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) 2.62 5.65 -6.42 0 3 0 19 277.368 3
Mid Mid (pH 6-8) 2.62 7.87 -32.32 1 3 1 21 278.376 3

Activity (Go SEA)

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