UCSF

ZINC20997438

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 21 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) -0.04 0.45 -46.33 2 7 1 80 290.347 5
Mid Mid (pH 6-8) -0.04 -1.85 -13.6 1 7 0 79 289.339 5
Mid Mid (pH 6-8) -0.04 0.19 -40.55 2 7 1 80 290.347 5
Lo Low (pH 4.5-6) -0.04 1.02 -92.29 3 7 2 81 291.355 5

Activity (Go SEA)

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