UCSF

ZINC53149384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 4.28 10.78 -108.01 3 2 2 21 314.876 6
Hi High (pH 8-9.5) 4.28 9.76 -35.07 2 2 1 16 313.868 6

Activity (Go SEA)

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