UCSF

ZINC31935041

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 3.04 6.38 -50.75 3 5 1 63 330.795 3
Lo Low (pH 4.5-6) 3.04 6.8 -103.5 4 5 2 65 331.803 3

Activity (Go SEA)

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