UCSF

ZINC34956082

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 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 3.98 -8.68 1 4 0 59 256.236 2
Lo Low (pH 4.5-6) 3.19 6 -76.81 2 4 1 60 257.244 1

Activity (Go SEA)

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