UCSF

ZINC19637538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 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) 1.48 5.36 -43.42 1 5 1 37 270.397 4
Hi High (pH 8-9.5) 1.48 5.49 -40.79 1 5 1 37 270.397 4
Mid Mid (pH 6-8) 1.48 3.14 -5.58 0 5 0 36 269.389 4

Activity (Go SEA)

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