UCSF

ZINC37801101

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.94 3.64 -45.11 3 5 1 66 265.333 4
Hi High (pH 8-9.5) 0.94 3.22 -9.39 2 5 0 65 264.325 4

Activity (Go SEA)

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