UCSF

ZINC05095410

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 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) 2.40 3.97 -12.34 3 8 0 119 403.442 6
Lo Low (pH 4.5-6) 2.40 4.42 -37.73 4 8 1 120 404.45 6
Lo Low (pH 4.5-6) 2.40 3.64 -53.17 4 8 1 121 404.45 6
Lo Low (pH 4.5-6) 2.40 3.87 -38.29 4 8 1 120 404.45 6

Activity (Go SEA)

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