UCSF

ZINC34670480

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 23 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) 3.56 7.28 -6.91 0 3 0 22 319.351 5
Lo Low (pH 4.5-6) 3.56 9.54 -48.42 1 3 1 23 320.359 5

Activity (Go SEA)

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