UCSF

ZINC05125985

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 30 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) 5.00 1.87 -11.68 1 5 0 66 411.473 9
Mid Mid (pH 6-8) 4.42 1.7 -15.95 0 5 0 63 411.473 9

Activity (Go SEA)

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