UCSF

ZINC39870310

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 26 No

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) 5.32 8.62 -10.77 1 5 0 60 388.876 5
Mid Mid (pH 6-8) 5.32 7.88 -42.19 0 5 -1 63 387.868 5

Activity (Go SEA)

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