UCSF

ZINC37822348

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.48 3.53 -48.77 5 5 1 91 355.256 5
Mid Mid (pH 6-8) 1.48 3.42 -13.18 4 5 0 89 354.248 5

Activity (Go SEA)

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