UCSF

ZINC37826833

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.13 7.22 -83.97 3 5 2 51 287.448 10
Hi High (pH 8-9.5) 1.13 6.01 -38.88 2 5 1 46 286.44 10

Activity (Go SEA)

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