UCSF

ZINC50123138

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2010 25 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) 2.79 7.05 -7.07 1 5 0 53 345.487 6
Mid Mid (pH 6-8) 2.79 8.84 -43.78 2 5 1 54 346.495 6

Activity (Go SEA)

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