UCSF

ZINC49497718

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.93 -3.88 -49.91 2 7 -1 107 235.223 2
Lo Low (pH 4.5-6) -1.39 -2.02 -15.65 3 7 0 104 236.231 2

Activity (Go SEA)

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