UCSF

ZINC13827097

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 17 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) 2.65 5.98 -16.39 1 4 0 51 225.251 2
Lo Low (pH 4.5-6) 2.65 6.33 -31.67 2 4 1 52 226.259 2

Activity (Go SEA)

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