UCSF

ZINC08858560

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 30 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) 4.49 0.9 -48.85 2 5 1 62 448.37 8
Mid Mid (pH 6-8) 3.91 0.73 -57.66 1 5 1 58 448.37 8

Activity (Go SEA)

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