UCSF

ZINC58244429

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 26 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) 2.79 9.24 -16.82 1 5 0 62 342.402 4
Lo Low (pH 4.5-6) 2.79 10.15 -38.17 2 5 1 63 343.41 4

Activity (Go SEA)

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