UCSF

ZINC29010963

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 20 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) 2.97 6.72 -50.73 1 4 -1 69 296.412 7
Lo Low (pH 4.5-6) 2.97 5.59 -12.37 2 4 0 66 297.42 7

Activity (Go SEA)

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