UCSF

ZINC37092985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 2.07 6 -33.37 2 3 1 37 225.356 2
Hi High (pH 8-9.5) 2.07 4.86 -7.52 1 3 0 32 224.348 2

Activity (Go SEA)

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