UCSF

ZINC48221910

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 22 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) 4.47 8.95 -15.35 1 4 0 51 377.263 4
Hi High (pH 8-9.5) 3.99 6.78 -52.44 0 4 -1 57 376.255 4

Activity (Go SEA)

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