UCSF

ZINC41684667

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 0.31 3.61 -12.25 1 8 0 102 322.383 10
Hi High (pH 8-9.5) 0.31 3.24 -52.56 0 8 -1 104 321.375 10

Activity (Go SEA)

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