UCSF

ZINC19436253

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 15 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) 0.74 2.85 -82.04 5 4 2 59 214.357 6
Hi High (pH 8-9.5) 0.74 0.46 -35.12 4 4 1 58 213.349 6
Mid Mid (pH 6-8) 0.74 2.84 -97.39 5 4 2 59 214.357 6

Activity (Go SEA)

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