UCSF

ZINC45644195

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 25 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) 2.13 3.35 -16.55 2 7 0 74 352.41 7
Lo Low (pH 4.5-6) 2.13 5.52 -55.33 3 7 1 75 353.418 7

Activity (Go SEA)

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