UCSF

ZINC52254441

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 18 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) 2.87 6.51 -5.22 1 3 0 47 258.264 6
Hi High (pH 8-9.5) 2.87 7.14 -49.88 0 3 -1 49 257.256 6

Activity (Go SEA)

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