UCSF

ZINC40114462

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 21 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) 3.81 6.8 -16.46 1 5 0 64 343.861 6
Hi High (pH 8-9.5) 3.88 5.13 -46.68 0 5 -1 70 342.853 6

Activity (Go SEA)

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