UCSF

ZINC35616172

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 5.52 10.83 -9.49 1 4 0 42 344.201 3
Lo Low (pH 4.5-6) 5.52 11.28 -28.49 2 4 1 44 345.209 3

Activity (Go SEA)

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