UCSF

ZINC39869919

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 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) 6.21 12.55 -207.97 0 8 -3 134 505.915 8
Mid Mid (pH 6-8) 6.21 13 -129.73 1 8 -2 131 506.923 8

Activity (Go SEA)

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