UCSF

ZINC18127288

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 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) 5.61 9.18 -8.32 1 3 0 45 326.396 2
Ref Reference (pH 7) 5.61 9.54 -8.48 1 3 0 45 326.396 2
Mid Mid (pH 6-8) 5.12 9.59 -41.75 0 3 -1 44 325.388 3
Lo Low (pH 4.5-6) 5.12 9.78 -13.45 1 3 0 42 326.396 3

Activity (Go SEA)

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