UCSF

ZINC34891507

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 32 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) 5.43 7.23 -50.43 1 8 -1 105 469.93 7
Lo Low (pH 4.5-6) 5.43 7.77 -14.79 2 8 0 102 470.938 7

Activity (Go SEA)

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