UCSF

ZINC34684363

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 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) 2.69 5.1 -52.93 2 9 1 91 479.557 9
Mid Mid (pH 6-8) 2.69 5.12 -50.8 2 9 1 91 479.557 9
Mid Mid (pH 6-8) 2.69 2.85 -13.41 1 9 0 89 478.549 9

Activity (Go SEA)

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