UCSF

ZINC39051720

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 11 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) 1.67 4.16 -7.78 0 2 0 30 149.193 2
Lo Low (pH 4.5-6) 1.67 4.61 -38.91 1 2 1 31 150.201 2

Activity (Go SEA)

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