UCSF

ZINC22183427

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 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) -0.21 -2.06 -9.92 2 6 0 65 240.307 2
Mid Mid (pH 6-8) -0.21 0.29 -44.36 3 6 1 66 241.315 2
Mid Mid (pH 6-8) -0.21 -0.89 -40.84 3 6 1 69 241.315 2
Mid Mid (pH 6-8) -0.21 1.45 -92.73 4 6 2 70 242.323 2

Activity (Go SEA)

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