UCSF

ZINC34674027

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 21 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) 0.07 7.61 -56.77 1 6 1 65 308.431 6
Mid Mid (pH 6-8) 0.07 5.38 -15.6 0 6 0 63 307.423 6

Activity (Go SEA)

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