UCSF

ZINC22780867

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 25 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) 3.06 8.45 -47.08 0 5 -1 67 351.407 3
Lo Low (pH 4.5-6) 2.60 9.53 -10.73 1 5 0 64 352.415 3

Activity (Go SEA)

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