UCSF

ZINC39767185

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 31 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) 2.10 7.01 -28.8 2 8 0 101 472.518 7
Lo Low (pH 4.5-6) 2.10 8.15 -46.52 3 8 1 103 473.526 7

Activity (Go SEA)

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