UCSF

ZINC16533054

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2008 33 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) 3.02 11.2 -47.76 2 9 1 98 454.551 5
Mid Mid (pH 6-8) 3.02 10.8 -16.96 1 9 0 97 453.543 5

Activity (Go SEA)

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