UCSF

ZINC17072055

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 25 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) -1.55 2.87 -17.09 2 10 0 120 346.347 7
Lo Low (pH 4.5-6) -1.55 3.14 -43.51 3 10 1 122 347.355 7

Activity (Go SEA)

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