UCSF

ZINC09994518

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2007 37 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) 4.32 12.24 -42.77 0 7 -1 92 495.555 11
Mid Mid (pH 6-8) 3.74 0.98 -23.07 0 7 0 85 496.563 11
Lo Low (pH 4.5-6) 4.32 1.16 -42.43 2 7 1 90 497.571 11
Lo Low (pH 4.5-6) 3.74 1.1 -50.29 1 7 1 87 497.571 11

Activity (Go SEA)

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