UCSF

ZINC06748298

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 2.25 2.19 -45.93 2 7 -1 107 346.388 4
Mid Mid (pH 6-8) 1.79 3.3 -17.35 3 7 0 104 347.396 4

Activity (Go SEA)

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