UCSF

ZINC40786176

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 30 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) 0.83 8.81 -30.54 1 10 0 118 436.336 4
Hi High (pH 8-9.5) 1.29 6.74 -66.02 0 10 -1 121 435.328 4

Activity (Go SEA)

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