UCSF

ZINC38483172

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 22 No

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) 0.56 0.89 -6.97 2 6 0 71 325.434 6
Lo Low (pH 4.5-6) 0.56 3.22 -38.09 3 6 1 72 326.442 6

Activity (Go SEA)

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