UCSF

ZINC20898954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 23 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) 0.43 4.25 -8.59 3 7 0 88 332.385 2
Mid Mid (pH 6-8) 0.89 2.61 -50.87 2 7 -1 91 331.377 2

Activity (Go SEA)

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