UCSF

ZINC41730656

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 3.24 9.12 -30.19 2 3 0 57 259.349 5
Hi High (pH 8-9.5) 3.24 7.96 -45.33 1 3 -1 52 258.341 5

Activity (Go SEA)

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