UCSF

ZINC52304873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 4.15 8.13 -4.36 0 2 0 18 252.77 3
Hi High (pH 8-9.5) 4.15 8.68 -39.47 0 2 -1 18 251.762 3

Activity (Go SEA)

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