UCSF

ZINC02540032

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 17 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) 3.81 5.6 -11.59 1 2 0 37 295.107 2
Hi High (pH 8-9.5) 3.81 6.39 -39.22 0 2 -1 40 294.099 2

Activity (Go SEA)

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