UCSF

ZINC06457723

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2006 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) 3.44 7.48 -19.23 2 6 0 80 360.483 7
Hi High (pH 8-9.5) 3.44 7.33 -45.45 1 6 -1 78 359.475 7

Activity (Go SEA)

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