UCSF

ZINC37039500

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.65 6.9 -103.55 4 4 2 48 250.39 5
Hi High (pH 8-9.5) 0.65 5.11 -45.5 3 4 1 47 249.382 5
Mid Mid (pH 6-8) 0.65 7.25 -162.23 5 4 3 49 251.398 5

Activity (Go SEA)

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