UCSF

ZINC05908432

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 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) 2.17 6.19 -10.28 2 5 0 71 276.365 5
Hi High (pH 8-9.5) 2.36 4.05 -41.83 1 5 -1 72 275.357 5
Hi High (pH 8-9.5) 2.17 5.99 -43.77 1 5 -1 69 275.357 5
Mid Mid (pH 6-8) 2.36 4.21 -9.54 2 5 0 74 276.365 5
Mid Mid (pH 6-8) 2.17 6.17 -13.3 2 5 0 71 276.365 5

Activity (Go SEA)

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