UCSF

ZINC37824366

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.01 1.18 -47.61 4 6 1 86 274.385 9
Hi High (pH 8-9.5) 0.01 0.85 -13.27 3 6 0 85 273.377 9

Activity (Go SEA)

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