UCSF

ZINC62951681

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 3.38 8.77 -121.56 4 2 2 32 276.468 5
Mid Mid (pH 6-8) 3.38 6.88 -42.72 3 2 1 31 275.46 5
Mid Mid (pH 6-8) 3.38 9.01 -29.43 3 2 1 30 275.46 5

Activity (Go SEA)

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