UCSF

ZINC36611881

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 28 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) 3.60 7.9 -10.37 2 6 0 116 374.444 3
Lo Low (pH 4.5-6) 3.60 7.71 -47.59 3 6 1 117 375.452 3

Activity (Go SEA)

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