UCSF

ZINC39318634

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 21 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) 3.44 10.43 -46.92 1 5 1 67 289.355 5
Mid Mid (pH 6-8) 3.44 8.38 -7.98 0 5 0 66 288.347 5

Activity (Go SEA)

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