UCSF

ZINC16506269

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 30 Yes

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) 4.85 7.86 -15.73 2 6 0 85 424.522 7
Mid Mid (pH 6-8) 4.85 7.91 -48.78 1 6 -1 87 423.514 7

Activity (Go SEA)

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