UCSF

ZINC13220345

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 28 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) 1.76 7.12 -16.06 1 7 0 105 373.368 1
Lo Low (pH 4.5-6) 1.76 7.37 -52.87 2 7 1 106 374.376 1

Activity (Go SEA)

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