UCSF

ZINC31965341

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 Yes

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) 0.79 7.37 -58.58 1 6 -1 87 302.354 5
Lo Low (pH 4.5-6) 0.79 7.77 -65.15 2 6 0 88 303.362 5

Activity (Go SEA)

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