UCSF

ZINC39881734

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 35 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) 5.96 15.41 -36.87 1 6 1 66 462.529 5
Mid Mid (pH 6-8) 5.96 15.28 -24.67 0 6 0 65 461.521 5

Activity (Go SEA)

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