UCSF

ZINC41243347

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 15 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) 2.50 6.28 -42.33 2 2 1 26 224.349 3
Hi High (pH 8-9.5) 2.50 5.05 -4.13 1 2 0 21 223.341 3

Activity (Go SEA)

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