UCSF

ZINC34855183

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 27 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) 0.88 7.02 -52.26 3 7 0 114 386.791 3
Mid Mid (pH 6-8) 0.88 5.71 -59.87 2 7 -1 110 385.783 3

Activity (Go SEA)

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