UCSF

ZINC20112133

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.03 8.41 -19.82 2 5 0 75 446.931 6
Mid Mid (pH 6-8) 5.03 8.47 -51.91 1 5 -1 77 445.923 6

Activity (Go SEA)

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