UCSF

ZINC39381164

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 31 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) 6.28 12.76 -11.46 0 4 0 38 474.402 3
Lo Low (pH 4.5-6) 6.28 14.81 -48.73 1 4 1 39 475.41 3
Lo Low (pH 4.5-6) 6.28 15.1 -47.01 1 4 1 39 475.41 3

Activity (Go SEA)

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