UCSF

ZINC42428525

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 0.54 2.12 -106.96 6 4 2 75 241.379 5
Hi High (pH 8-9.5) 0.54 1.74 -31.74 5 4 1 74 240.371 5

Activity (Go SEA)

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