UCSF

ZINC04889008

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 23 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) 1.55 -0.91 -15.11 2 6 0 87 319.357 6
Mid Mid (pH 6-8) 0.97 -1.1 -25.25 1 6 0 83 319.357 6

Activity (Go SEA)

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