UCSF

ZINC05551186

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 23 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) 6.25 9.74 -7.77 1 3 0 45 387.302 2
Mid Mid (pH 6-8) 5.76 10.15 -41.25 0 3 -1 44 386.294 3
Lo Low (pH 4.5-6) 5.76 10.33 -12.86 1 3 0 42 387.302 3

Activity (Go SEA)

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