UCSF

ZINC34623297

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 40 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) 8.59 20.62 -11.56 0 5 0 47 537.748 10
Mid Mid (pH 6-8) 8.59 20.87 -29.5 1 5 1 49 538.756 10

Activity (Go SEA)

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