UCSF

ZINC25383133

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 24 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) 3.42 10.64 -46.56 2 4 1 47 329.464 6
Hi High (pH 8-9.5) 3.42 8.36 -10.27 1 4 0 45 328.456 6

Activity (Go SEA)

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