UCSF

ZINC78735211

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2012 25 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) 3.19 10.57 -43.73 2 4 1 43 345.438 7
Hi High (pH 8-9.5) 3.19 7.85 -10.77 1 4 0 42 344.43 7

Activity (Go SEA)

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