UCSF

ZINC34929966

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.45 7.25 -11.68 1 7 0 63 413.518 9
Mid Mid (pH 6-8) 3.45 9.51 -58.03 2 7 1 64 414.526 9

Activity (Go SEA)

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