UCSF

ZINC57305128

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 19 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) 2.25 3.91 -43.44 2 5 1 60 262.333 5
Hi High (pH 8-9.5) 2.07 3.08 -34.02 1 5 0 66 261.325 5

Activity (Go SEA)

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