UCSF

ZINC69906427

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 10 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) -0.62 -2.03 -40.01 3 3 1 40 145.226 3
Hi High (pH 8-9.5) -0.62 -2.49 -4.03 2 3 0 38 144.218 3

Activity (Go SEA)

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