UCSF

ZINC44122600

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.68 7.79 -131.69 0 4 -2 80 218.208 2
Mid Mid (pH 6-8) 0.68 6.04 -45.64 1 4 -1 77 219.216 2

Activity (Go SEA)

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