UCSF

ZINC53118376

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 2.70 3.48 -40 4 3 1 57 298.834 5
Hi High (pH 8-9.5) 2.70 2.32 -4.07 3 3 0 52 297.826 5

Activity (Go SEA)

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