UCSF

ZINC42452549

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.43 3.06 -88.48 5 4 2 62 254.374 9
Hi High (pH 8-9.5) 1.43 0.84 -45.03 4 4 1 60 253.366 9

Activity (Go SEA)

Rings

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