UCSF

ZINC37847064

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 2.28 3.3 -9.32 3 5 0 77 328.191 3
Hi High (pH 8-9.5) 2.35 2.66 -44.37 2 5 -1 84 327.183 3

Activity (Go SEA)

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