UCSF

ZINC37853650

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 1.77 3.03 -7.72 2 3 0 41 233.311 6
Mid Mid (pH 6-8) 1.77 4.46 -45.23 3 3 1 46 234.319 6

Activity (Go SEA)

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