UCSF

ZINC37982497

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 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) 2.29 4.94 -71.9 2 3 1 51 308.345 5
Hi High (pH 8-9.5) 2.29 3.62 -13.46 1 3 0 46 307.337 5

Activity (Go SEA)

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