UCSF

ZINC37219429

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.36 7.25 -61.89 2 3 1 51 310.483 7
Hi High (pH 8-9.5) 3.36 6.07 -11.9 1 3 0 46 309.475 7

Activity (Go SEA)

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