UCSF

ZINC01414692

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 34 No

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) 5.46 13.9 -45.3 1 5 -1 76 469.948 6
Mid Mid (pH 6-8) 5.91 12.09 -27.49 2 5 0 73 470.956 5
Mid Mid (pH 6-8) 4.88 13.12 -19.84 1 5 0 70 470.956 6

Activity (Go SEA)

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