UCSF

ZINC36886366

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 17 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) 1.67 8.14 -50.58 0 4 -1 67 235.238 5
Lo Low (pH 4.5-6) 1.67 6.16 -11.79 1 4 0 64 236.246 5

Activity (Go SEA)

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