UCSF

ZINC34613211

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 33 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) 3.59 12.51 -72.2 1 8 -1 104 458.51 6
Mid Mid (pH 6-8) 3.59 10.5 -19.76 2 8 0 101 459.518 6
Lo Low (pH 4.5-6) 0.85 9.27 -31.75 2 8 0 107 459.518 5

Activity (Go SEA)

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