UCSF

ZINC08817996

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 31 No

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) 2.58 5.87 -52.26 3 7 1 92 488.358 6
Mid Mid (pH 6-8) 2.00 6.56 -61.81 2 7 1 88 488.358 6

Activity (Go SEA)

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