UCSF

ZINC15770527

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 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) 4.01 7.77 -13.97 1 5 0 58 400.935 5
Lo Low (pH 4.5-6) 4.01 8.05 -41.77 2 5 1 59 401.943 5

Activity (Go SEA)

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