UCSF

ZINC11821904

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 30 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) 3.26 -0.58 -50.12 1 9 1 89 409.518 4
Lo Low (pH 4.5-6) 3.26 -0.5 -131.62 2 9 2 90 410.526 4

Activity (Go SEA)

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