UCSF

ZINC38443210

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 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) 2.87 3.2 -54.36 2 6 -1 98 351.791 5
Hi High (pH 8-9.5) 2.87 4.41 -103.01 1 6 -2 100 350.783 5
Mid Mid (pH 6-8) 2.87 3.07 -21.28 3 6 0 95 352.799 5

Activity (Go SEA)

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