UCSF

ZINC39324378

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 31 No

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) 3.90 6.62 -10.6 2 6 0 81 415.493 4
Lo Low (pH 4.5-6) 3.90 6.99 -45.61 3 6 1 82 416.501 4

Activity (Go SEA)

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