UCSF

ZINC33445849

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 34 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) 2.86 11.07 -38.53 0 9 -1 128 458.45 8
Lo Low (pH 4.5-6) 2.86 9.94 -24.32 1 9 0 126 459.458 8

Activity (Go SEA)

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