UCSF

ZINC40013593

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 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) 3.19 9.5 -32.54 1 2 1 18 248.371 6
Hi High (pH 8-9.5) 3.19 6.95 -3.48 0 2 0 16 247.363 6

Activity (Go SEA)

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