UCSF

ZINC60697240

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 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) 2.75 5.68 -41.51 2 2 1 26 248.268 6
Hi High (pH 8-9.5) 2.75 4.38 -4.07 1 2 0 21 247.26 6

Activity (Go SEA)

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