UCSF

ZINC61819242

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 15 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) 2.36 5.18 -26.91 3 3 1 43 206.313 1
Mid Mid (pH 6-8) 2.36 4.72 -4.38 2 3 0 42 205.305 1

Activity (Go SEA)

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