UCSF

ZINC20924042

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 34 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) 3.50 7.69 -13.78 0 8 0 75 461.566 6
Mid Mid (pH 6-8) 3.50 9.97 -56.22 1 8 1 76 462.574 6

Activity (Go SEA)

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