UCSF

ZINC37504949

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 14 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) 1.22 6.48 -46.78 0 4 -1 60 200.258 6
Lo Low (pH 4.5-6) 1.22 4.5 -7.98 1 4 0 58 201.266 6

Activity (Go SEA)

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