UCSF

ZINC43480039

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 1.98 4.49 -53.06 3 4 1 63 258.725 7
Hi High (pH 8-9.5) 1.98 5.27 -68.48 2 4 0 66 257.717 7

Activity (Go SEA)

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