UCSF

ZINC37791668

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.30 4.19 -46.69 3 7 1 80 277.352 7
Hi High (pH 8-9.5) 0.30 2.08 -13.27 2 7 0 79 276.344 7

Activity (Go SEA)

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