UCSF

ZINC34949727

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 25 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) 4.75 12.42 -37.46 3 4 1 58 340.491 3
Hi High (pH 8-9.5) 4.75 12.44 -4.82 2 4 0 56 339.483 3

Activity (Go SEA)

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