UCSF

ZINC52162625

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 18 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) 3.53 9.82 -33.95 1 3 1 31 270.78 6
Mid Mid (pH 6-8) 3.53 8 -4.82 0 3 0 30 269.772 6

Activity (Go SEA)

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