UCSF

ZINC40996773

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 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) 3.38 7.76 -39.47 2 2 1 29 245.371 4
Hi High (pH 8-9.5) 3.38 6.47 -5.31 1 2 0 25 244.363 4

Activity (Go SEA)

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