UCSF

ZINC37803603

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.36 1.58 -56.47 3 5 1 82 277.41 6
Hi High (pH 8-9.5) 0.36 1.26 -16.85 2 5 0 80 276.402 6

Activity (Go SEA)

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