UCSF

ZINC18162360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 31 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) 2.00 4.36 -13.32 1 8 0 94 439.3 4
Ref Reference (pH 7) 2.00 4.77 -14.91 1 8 0 94 439.3 4
Ref Reference (pH 7) 2.00 5.39 -21.16 1 8 0 94 439.3 4
Mid Mid (pH 6-8) 2.00 4.59 -73.75 2 8 1 96 440.308 4

Activity (Go SEA)

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