UCSF

ZINC29343107

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 42 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) 4.06 10.51 -54.21 4 10 -1 152 575.686 13
Lo Low (pH 4.5-6) 4.06 9.39 -14.31 5 10 0 150 576.694 13

Activity (Go SEA)

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