UCSF

ZINC16479776

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 26 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) 2.25 5.61 -15.04 1 6 0 66 359.401 5
Lo Low (pH 4.5-6) 2.25 7.78 -51.98 2 6 1 67 360.409 5

Activity (Go SEA)

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