UCSF

ZINC35609606

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 20 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) -0.83 -2.3 -52.19 2 8 -1 117 302.332 5
Lo Low (pH 4.5-6) -0.83 0 -69.19 3 8 0 118 303.34 5

Activity (Go SEA)

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