UCSF

ZINC34950042

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 12 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) 3.39 6.85 -2.35 0 1 0 3 183.682 2
Lo Low (pH 4.5-6) 3.39 7.27 -16.95 1 1 0 4 184.69 2

Activity (Go SEA)

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