UCSF

ZINC04588847

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.25 9.41 -48.53 2 6 1 65 409.506 11
Hi High (pH 8-9.5) 3.25 7.22 -10.89 1 6 0 64 408.498 11

Activity (Go SEA)

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