UCSF

ZINC12628422

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 23 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) 3.58 9.45 -13.57 1 5 0 60 326.425 5
Mid Mid (pH 6-8) 3.58 9.67 -29.75 2 5 1 61 327.433 5

Activity (Go SEA)

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