UCSF

ZINC48301000

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 33 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) 3.84 11.52 -12.33 0 6 0 72 434.499 5
Lo Low (pH 4.5-6) 3.84 10.96 -47.57 1 6 1 73 435.507 5

Activity (Go SEA)

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