UCSF

ZINC20560439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 18 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) 3.82 7.08 -39.84 2 2 1 20 253.454 6
Hi High (pH 8-9.5) 3.82 8.17 -29.73 2 2 1 16 253.454 6
Mid Mid (pH 6-8) 3.82 9.46 -110.91 3 2 2 21 254.462 6

Activity (Go SEA)

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