UCSF

ZINC02613864

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 27 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) 5.18 9.75 -17.38 1 5 0 66 401.557 7
Mid Mid (pH 6-8) 5.64 8.51 -48.26 0 5 -1 69 400.549 7

Activity (Go SEA)

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