UCSF

ZINC06575373

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 20 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) 3.25 9.84 -13.56 1 3 0 38 365.277 2
Mid Mid (pH 6-8) 3.98 9.8 -42.19 0 3 -1 35 364.269 2

Activity (Go SEA)

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