UCSF

ZINC37799687

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) 2.51 6.58 -45.37 3 4 1 57 291.415 6
Hi High (pH 8-9.5) 2.51 6.24 -10.25 2 4 0 56 290.407 6

Activity (Go SEA)

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