UCSF

ZINC11735090

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2008 16 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) 0.87 3.16 -13.66 3 5 0 76 218.26 3
Mid Mid (pH 6-8) 0.87 3.94 -31.09 4 5 1 78 219.268 3
Mid Mid (pH 6-8) 0.87 3.6 -33.74 4 5 1 78 219.268 3

Activity (Go SEA)

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