UCSF

ZINC19270806

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 19 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) -0.48 1.99 -120.25 5 5 2 71 268.357 5
Hi High (pH 8-9.5) -0.48 -0.41 -56.34 4 5 1 70 267.349 5
Hi High (pH 8-9.5) -0.48 -0.79 -9.69 3 5 0 68 266.341 5
Mid Mid (pH 6-8) -0.48 1.61 -41.11 4 5 1 69 267.349 5

Activity (Go SEA)

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