UCSF

ZINC20197669

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 No

Download: MOL2 SDF SMILES Flexibase

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) 3.38 7.5 -50.38 2 2 1 26 258.744 7
Hi High (pH 8-9.5) 3.38 6.22 -5.4 1 2 0 21 257.736 7

Activity (Go SEA)

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