UCSF

ZINC02614443

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 30 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) 5.92 11.57 -17.44 1 5 0 66 441.622 7
Mid Mid (pH 6-8) 6.37 10.33 -49.1 0 5 -1 69 440.614 7

Activity (Go SEA)

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