UCSF

ZINC26770669

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 24 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) 4.66 9.35 -14.63 0 4 0 42 344.48 6
Lo Low (pH 4.5-6) 4.66 10.27 -27.74 1 4 1 44 345.488 6

Activity (Go SEA)

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