UCSF

ZINC05045087

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 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) 2.31 5.8 -44.78 1 6 -1 90 366.393 6
Mid Mid (pH 6-8) 2.75 3.93 -28.56 2 6 0 87 367.401 5
Mid Mid (pH 6-8) 1.72 4.92 -23.21 1 6 0 84 367.401 6

Activity (Go SEA)

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