UCSF

ZINC21631691

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 4.09 11.69 -17.19 1 6 0 61 366.465 5
Lo Low (pH 4.5-6) 4.09 11.96 -50.94 2 6 1 65 367.473 5

Activity (Go SEA)

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