UCSF

ZINC39733715

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.97 11.61 -21.94 0 8 0 99 489.601 6
Mid Mid (pH 6-8) 2.97 12.5 -55.52 1 8 1 101 490.609 6

Activity (Go SEA)

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