UCSF

ZINC05148101

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 27 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) 3.41 11.86 -8.66 0 8 0 77 386.843 3
Mid Mid (pH 6-8) 3.41 12.34 -35.91 1 8 1 79 387.851 3

Activity (Go SEA)

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