UCSF

ZINC48618140

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 27 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) 1.60 5.23 -17.92 0 7 0 74 391.493 6
Mid Mid (pH 6-8) 1.60 7.4 -51.37 1 7 1 75 392.501 6

Activity (Go SEA)

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