UCSF

ZINC42609811

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 18 No

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) 1.97 6.59 -6.16 0 4 0 35 272.776 8
Mid Mid (pH 6-8) 1.97 7.06 -28.26 1 4 1 36 273.784 8

Activity (Go SEA)

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