UCSF

ZINC06931990

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 24 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) 4.31 5.4 -10.51 3 5 0 81 335.388 2
Mid Mid (pH 6-8) 3.82 4.79 -48.69 2 5 -1 80 334.38 3

Activity (Go SEA)

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