UCSF

ZINC58165457

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 23 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) 4.06 10.3 -35.92 2 2 1 16 333.858 5
Lo Low (pH 4.5-6) 4.06 9.27 -33.76 2 2 1 20 333.858 5

Activity (Go SEA)

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