UCSF

ZINC62364924

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 17 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) 1.37 5.43 -37.61 1 4 1 34 241.355 4
Hi High (pH 8-9.5) 1.37 3.18 -6.91 0 4 0 33 240.347 4

Activity (Go SEA)

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