UCSF

ZINC39908093

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) 6.30 14.76 -10.2 0 3 0 27 364.533 9
Mid Mid (pH 6-8) 6.30 15.06 -29.25 1 3 1 28 365.541 9

Activity (Go SEA)

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