UCSF

ZINC20267414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 34 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) 4.12 11.34 -68.78 1 7 0 83 466.578 11
Hi High (pH 8-9.5) 4.12 8.8 -57.7 0 7 -1 82 465.57 11

Activity (Go SEA)

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