UCSF

ZINC06117664

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 29 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) -0.01 4.49 -190.77 10 7 3 126 406.595 16
Hi High (pH 8-9.5) -0.01 3.14 -106.39 9 7 2 121 405.587 16
Mid Mid (pH 6-8) -0.01 4.11 -111.92 9 7 2 124 405.587 16

Activity (Go SEA)

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