UCSF

ZINC35447613

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 31 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) 4.17 8.98 -17.32 2 6 0 74 430.533 6
Lo Low (pH 4.5-6) 4.17 9.73 -107.48 3 6 0 76 431.541 6

Activity (Go SEA)

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