UCSF

ZINC45685471

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 1.09 5.65 -35.35 2 4 1 43 229.344 7
Lo Low (pH 4.5-6) 1.09 6.82 -106.08 3 4 2 47 230.352 7
Lo Low (pH 4.5-6) 1.09 4.59 -43.48 2 4 1 46 229.344 7

Activity (Go SEA)

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