UCSF

ZINC35250840

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 13 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) -0.36 -0.38 -5.47 3 6 0 91 182.183 3
Hi High (pH 8-9.5) 0.10 -2.05 -36 2 6 -1 94 181.175 3

Activity (Go SEA)

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