UCSF

ZINC42172171

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 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) 2.96 8.68 -103.59 3 2 2 21 238.419 3
Hi High (pH 8-9.5) 2.96 7.5 -28.33 2 2 1 16 237.411 3

Activity (Go SEA)

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