UCSF

ZINC37818043

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.34 6.81 -36.49 2 5 1 57 296.435 5
Hi High (pH 8-9.5) 2.34 5.71 -13.22 1 5 0 53 295.427 5

Activity (Go SEA)

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