UCSF

ZINC08584439

Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2007 26 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) -0.57 2.66 -69.85 4 10 -1 161 394.414 5
Hi High (pH 8-9.5) -0.57 3.92 -131.02 3 10 -2 164 393.406 5

Activity (Go SEA)

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