UCSF

ZINC40116001

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 20 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) 0.10 1.46 -55.21 1 6 -1 95 269.236 3
Lo Low (pH 4.5-6) 0.10 0.7 -13.85 2 6 0 92 270.244 3
Lo Low (pH 4.5-6) 0.10 1.16 -43.82 3 6 1 94 271.252 3
Lo Low (pH 4.5-6) 0.10 1.92 -65.37 2 6 0 97 270.244 3

Activity (Go SEA)

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