UCSF

ZINC08845564

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 35 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) 2.92 11.76 -45.17 2 8 1 95 472.521 7
Mid Mid (pH 6-8) 2.34 12.31 -50.22 1 8 1 92 472.521 7

Activity (Go SEA)

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