UCSF

ZINC04892418

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 26 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) 2.12 2.99 -15.02 3 8 0 109 357.366 7
Hi High (pH 8-9.5) 2.12 3.9 -59.05 2 8 -1 112 356.358 7

Activity (Go SEA)

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