UCSF

ZINC52291888

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 Yes

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) 3.66 7.17 -29.26 2 2 1 26 233.722 2
Hi High (pH 8-9.5) 3.66 6.75 -5.67 1 2 0 25 232.714 2

Activity (Go SEA)

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