UCSF

ZINC36204018

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 Yes

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) 3.32 9.3 -50.66 2 5 1 59 356.471 4
Hi High (pH 8-9.5) 3.77 6.92 -42.02 1 5 0 63 355.463 4

Activity (Go SEA)

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