UCSF

ZINC15919853

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 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) 1.64 3.95 -64.32 1 5 -1 81 328.369 5
Mid Mid (pH 6-8) 2.09 2.92 -30.5 2 5 0 78 329.377 4
Mid Mid (pH 6-8) 1.06 3.95 -22.1 1 5 0 75 329.377 5

Activity (Go SEA)

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