UCSF

ZINC29549287

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 47 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) 7.21 19.8 -282.68 10 7 5 101 659.081 34
Hi High (pH 8-9.5) 7.21 18.42 -216.33 9 7 4 97 658.073 34

Activity (Go SEA)

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