UCSF

ZINC52276012

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 25 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) 3.69 5.79 -6.33 1 4 0 42 361.869 5
Lo Low (pH 4.5-6) 3.69 8.09 -40.9 2 4 1 43 362.877 5

Activity (Go SEA)

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