UCSF

ZINC37792867

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) -1.10 -0.39 -46.99 2 5 -1 89 174.176 5
Lo Low (pH 4.5-6) -1.10 -2.36 -9.03 3 5 0 87 175.184 5

Activity (Go SEA)

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