UCSF

ZINC05033993

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 26 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) 2.69 6.81 -41.83 1 5 -1 81 370.812 6
Mid Mid (pH 6-8) 3.14 -2.98 -28.03 2 5 0 77 371.82 5
Mid Mid (pH 6-8) 2.11 -2.76 -20.26 1 5 0 74 371.82 6

Activity (Go SEA)

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