UCSF

ZINC08846549

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 32 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) 4.52 -1.39 -13.77 1 5 0 71 430.548 7
Mid Mid (pH 6-8) 5.10 0.5 -37.87 3 5 1 76 431.556 6

Activity (Go SEA)

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