UCSF

ZINC06446717

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 30 No

Download: MOL2 SDF SMILES Flexibase

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) 6.04 12.88 -21.12 1 8 0 120 465.263 5
Mid Mid (pH 6-8) 6.04 13.24 -58.88 2 8 1 122 466.271 5

Activity (Go SEA)

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