UCSF

ZINC05408854

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 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) 1.51 1.68 -63.34 2 7 -1 108 354.338 5
Mid Mid (pH 6-8) 1.95 -3.66 -19.46 3 7 0 105 355.346 4
Mid Mid (pH 6-8) 0.92 -3.62 -25.82 2 7 0 101 355.346 5

Activity (Go SEA)

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