UCSF

ZINC21814947

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 5.20 7.79 -61.51 3 2 1 37 424.515 3
Mid Mid (pH 6-8) 5.20 7.46 -5.36 2 2 0 35 423.507 3

Activity (Go SEA)

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