UCSF

ZINC60706561

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 15 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) 3.38 6.65 -44.68 3 1 1 28 258.819 4
Hi High (pH 8-9.5) 3.38 6.32 -4.39 2 1 0 26 257.811 4

Activity (Go SEA)

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