UCSF

ZINC23054872

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 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) 3.31 7.82 -19.86 1 6 0 73 389.452 5
Hi High (pH 8-9.5) 3.31 7.89 -54.22 0 6 -1 75 388.444 5

Activity (Go SEA)

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