UCSF

ZINC39907731

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 27 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) 6.11 14.37 -9.92 0 3 0 27 362.517 7
Mid Mid (pH 6-8) 6.11 14.83 -28.27 1 3 1 28 363.525 7

Activity (Go SEA)

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