UCSF

ZINC39875942

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.22 8.92 -10.23 1 5 0 71 387.366 2

Activity (Go SEA)

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