UCSF

ZINC44694556

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.01 4.03 -85.56 1 7 -1 96 316.403 5
Hi High (pH 8-9.5) 0.01 1.99 -49.63 1 7 -1 93 316.403 5
Mid Mid (pH 6-8) 0.01 4.33 -65.96 2 7 0 94 317.411 5

Activity (Go SEA)

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