UCSF

ZINC34671054

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 24 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) 2.38 3.29 -11.85 1 5 0 51 339.407 9
Lo Low (pH 4.5-6) 2.38 5.6 -46.97 2 5 1 52 340.415 9

Activity (Go SEA)

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