UCSF

ZINC16525254

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2008 27 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) 3.86 9.5 -21.6 1 5 0 76 356.381 4
Lo Low (pH 4.5-6) 3.86 9.78 -47.98 2 5 1 77 357.389 4

Activity (Go SEA)

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