UCSF

ZINC06300372

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 24 Yes

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) 4.49 9.02 -19.75 2 5 0 71 403.305 5
Mid Mid (pH 6-8) 4.49 8.85 -43.51 1 5 -1 69 402.297 5

Activity (Go SEA)

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