UCSF

ZINC66449600

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.43 8.14 -37.15 1 5 1 29 316.52 5
Mid Mid (pH 6-8) 1.43 10.3 -92.49 2 5 2 30 317.528 5

Activity (Go SEA)

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