UCSF

ZINC17040813

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 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) 3.85 7.05 -8.86 1 4 0 58 295.367 2
Ref Reference (pH 7) 3.36 6.56 -42.46 0 4 -1 57 294.359 3
Lo Low (pH 4.5-6) 3.85 6.93 -46.67 2 4 1 59 296.375 2

Activity (Go SEA)

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