UCSF

ZINC18054119

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 20 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) 5.18 6.5 -7.41 1 3 0 45 266.275 2
Hi High (pH 8-9.5) 5.18 7.27 -38.65 0 3 -1 48 265.267 2

Activity (Go SEA)

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