UCSF

ZINC38575420

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 24 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) 4.08 9.58 -12.45 1 4 0 66 357.797 3
Hi High (pH 8-9.5) 4.15 8.66 -38.22 0 4 -1 72 356.789 3

Activity (Go SEA)

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