UCSF

ZINC19688100

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 17 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) -1.21 1.88 -94.9 4 5 2 56 242.367 4
Hi High (pH 8-9.5) -1.21 -0.37 -48.75 3 5 1 54 241.359 4
Lo Low (pH 4.5-6) -1.21 1.95 -118.39 4 5 2 56 242.367 4

Activity (Go SEA)

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