UCSF

ZINC50893846

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2010 16 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) 2.91 6.71 -32.63 3 3 1 43 240.396 4
Hi High (pH 8-9.5) 2.91 4.44 -4.64 2 3 0 42 239.388 4

Activity (Go SEA)

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