UCSF

ZINC70516392

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 1.72 0.81 -47.29 5 4 1 77 274.34 6
Hi High (pH 8-9.5) 1.72 0.49 -7.1 4 4 0 76 273.332 6

Activity (Go SEA)

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