UCSF

ZINC43415689

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.11 6 -45.44 3 5 1 73 290.387 6
Mid Mid (pH 6-8) 1.11 5.02 -7.82 2 5 0 72 289.379 6

Activity (Go SEA)

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