UCSF

ZINC08926282

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 27 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) 1.81 10.4 -12.93 0 11 0 123 369.341 2
Mid Mid (pH 6-8) 1.81 10.87 -44.63 1 11 1 125 370.349 2

Activity (Go SEA)

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