UCSF

ZINC37052094

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) -0.57 4.47 -8.81 2 4 0 59 273.723 2
Mid Mid (pH 6-8) -0.57 4.78 -49.51 3 4 1 61 274.731 2
Lo Low (pH 4.5-6) -0.57 4.93 -38.74 3 4 1 60 274.731 2
Lo Low (pH 4.5-6) -0.57 5.23 -94.02 4 4 2 62 275.739 2

Activity (Go SEA)

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