UCSF

ZINC09661920

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2007 33 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) 2.42 7.41 -56.25 4 9 1 124 489.647 10
Mid Mid (pH 6-8) 2.42 5.45 -20.44 3 9 0 123 488.639 10

Activity (Go SEA)

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