UCSF

ZINC08996949

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 33 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) 2.69 7.49 -46.78 2 8 1 90 473.571 8
Mid Mid (pH 6-8) 1.66 8.2 -46.6 1 8 1 87 473.571 9

Activity (Go SEA)

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