UCSF

ZINC18272367

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 21 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) 3.31 6.49 -42.01 0 4 -1 57 294.359 3
Ref Reference (pH 7) 3.80 7.03 -8.98 1 4 0 58 295.367 2
Lo Low (pH 4.5-6) 3.80 7.34 -44.61 2 4 1 59 296.375 2
Lo Low (pH 4.5-6) 3.31 6.97 -59.29 1 4 0 58 295.367 3
Lo Low (pH 4.5-6) 3.80 7.11 -44.78 2 4 1 59 296.375 2

Activity (Go SEA)

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