UCSF

ZINC36181539

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 Yes

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) 1.59 1.3 -10 1 5 0 65 259.327 7
Hi High (pH 8-9.5) 1.59 1.46 -40.87 0 5 -1 67 258.319 7

Activity (Go SEA)

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