UCSF

ZINC54557063

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2010 16 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) 3.24 7.35 -47.77 0 3 -1 53 238.332 3
Lo Low (pH 4.5-6) 3.24 7.74 -31.48 1 3 0 54 239.34 3

Activity (Go SEA)

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