UCSF

ZINC33820332

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 21 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) 6.45 11.3 -44.76 1 3 -1 60 299.475 16
Lo Low (pH 4.5-6) 6.45 9.32 -6.47 2 3 0 58 300.483 16

Activity (Go SEA)

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