UCSF

ZINC22682517

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 27 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) 2.31 9.47 -55.29 2 5 1 54 370.448 5
Hi High (pH 8-9.5) 2.31 7.12 -16.11 1 5 0 53 369.44 5

Activity (Go SEA)

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