UCSF

ZINC19496915

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 0.51 8.02 -56.61 2 6 1 71 344.435 5
Hi High (pH 8-9.5) 0.51 5.72 -21.66 1 6 0 70 343.427 5

Activity (Go SEA)

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