UCSF

ZINC27768323

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 37 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) 2.26 7.09 -56.27 6 8 1 126 501.607 7
Mid Mid (pH 6-8) 2.26 6.82 -20.01 5 8 0 125 500.599 7

Activity (Go SEA)

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