UCSF

ZINC34850098

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 23 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) 3.13 10.46 -46.18 1 6 -1 102 309.301 5
Lo Low (pH 4.5-6) 3.13 8.47 -13.8 2 6 0 99 310.309 5

Activity (Go SEA)

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