UCSF

ZINC37981227

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 19 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) 1.53 3.32 -44.38 2 5 1 63 304.823 4
Mid Mid (pH 6-8) 1.53 3.08 -42.85 1 5 0 66 303.815 4

Activity (Go SEA)

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