UCSF

ZINC33774068

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 13 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) -3.03 -2.01 -237.72 2 8 -3 153 213.058 5
Mid Mid (pH 6-8) -3.03 -3.13 -118.53 3 8 -2 150 214.066 5

Activity (Go SEA)

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