UCSF

ZINC16671419

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 21 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) 3.80 6.58 -10.16 1 3 0 42 290.244 2
Lo Low (pH 4.5-6) 3.80 6.85 -28.64 2 3 1 43 291.252 2

Activity (Go SEA)

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