UCSF

ZINC37847416

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) 2.94 4.46 -36.96 3 4 1 55 276.441 13
Hi High (pH 8-9.5) 2.94 3.21 -4.37 2 4 0 51 275.433 13

Activity (Go SEA)

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