UCSF

ZINC16736229

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 32 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) 4.79 12.75 -11.46 0 6 0 73 424.456 5
Lo Low (pH 4.5-6) 4.79 12.94 -33.3 1 6 1 74 425.464 5

Activity (Go SEA)

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