UCSF

ZINC45655479

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) 1.93 3.67 -31.13 3 3 1 37 229.388 6
Lo Low (pH 4.5-6) 1.93 4.5 -104.58 4 3 2 41 230.396 6
Lo Low (pH 4.5-6) 1.93 2.09 -33.09 3 3 1 40 229.388 6

Activity (Go SEA)

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