UCSF

ZINC49204980

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 16 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) 2.12 4.64 -30.38 2 3 1 29 229.388 6
Mid Mid (pH 6-8) 2.12 6.69 -107.02 3 3 2 30 230.396 6
Mid Mid (pH 6-8) 2.12 5.58 -29.02 2 3 1 26 229.388 6

Activity (Go SEA)

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