UCSF

ZINC37043132

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -0.22 2.95 -46.92 4 5 1 75 265.381 4
Hi High (pH 8-9.5) -0.22 2.63 -10.98 3 5 0 73 264.373 4

Activity (Go SEA)

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