UCSF

ZINC19514738

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 20 No

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) 2.40 6.65 -47.82 3 3 1 34 296.435 5
Mid Mid (pH 6-8) 2.40 6.69 -49.12 3 3 1 34 296.435 5
Mid Mid (pH 6-8) 2.40 4.34 -12.77 2 3 0 32 295.427 5

Activity (Go SEA)

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