UCSF

ZINC07437184

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2006 23 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) 3.79 9.7 -39.2 2 5 1 60 360.261 6
Hi High (pH 8-9.5) 3.79 7.53 -9.64 1 5 0 59 359.253 6
Hi High (pH 8-9.5) 3.60 8.7 -29.09 1 5 0 66 359.253 6

Activity (Go SEA)

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