UCSF

ZINC42825127

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 2.43 5.29 -53.38 1 5 -1 74 269.708 4
Lo Low (pH 4.5-6) 2.43 5.73 -33.65 2 5 0 76 270.716 4

Activity (Go SEA)

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