UCSF

ZINC16011611

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2008 34 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) 1.73 2.97 -20.89 4 12 0 177 465.422 5
Lo Low (pH 4.5-6) 1.73 2.43 -51.82 5 12 1 181 466.43 5

Activity (Go SEA)

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