UCSF

ZINC40954257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 13 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) 2.29 5.78 -35.34 2 3 1 43 186.275 6
Hi High (pH 8-9.5) 2.29 4.63 -6.19 1 3 0 38 185.267 6

Activity (Go SEA)

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