UCSF

ZINC13281428

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 22 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) 4.46 7.82 -7.92 1 4 0 51 339.222 6
Lo Low (pH 4.5-6) 4.46 8.11 -40.48 2 4 1 52 340.23 6

Activity (Go SEA)

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