UCSF

ZINC28248629

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 28 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) 6.65 17.27 -40.8 1 1 1 4 364.512 7
Hi High (pH 8-9.5) 6.65 15.11 -5.56 0 1 0 3 363.504 7

Activity (Go SEA)

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