UCSF

ZINC09554113

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 35 No

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) 6.42 -0.41 -8.76 1 6 0 85 496.003 8
Mid Mid (pH 6-8) 6.42 -0.6 -12.21 1 6 0 85 496.003 8
Mid Mid (pH 6-8) 6.60 -1.47 -10.72 1 6 0 85 496.003 8

Activity (Go SEA)

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