UCSF

ZINC43404599

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.46 4.89 -44.07 4 3 1 61 255.341 1
Hi High (pH 8-9.5) 2.46 4.49 -8.93 3 3 0 59 254.333 1

Activity (Go SEA)

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