UCSF

ZINC70459738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2011 17 Yes

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) 0.82 1.47 -44.13 4 3 1 51 235.351 3
Lo Low (pH 4.5-6) 0.82 3.81 -110.68 5 3 2 52 236.359 3

Activity (Go SEA)

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