UCSF

ZINC35385860

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) -2.09 0.81 -41.88 2 6 0 96 171.156 4
Hi High (pH 8-9.5) -2.09 -0.54 -45.77 1 6 -1 91 170.148 4

Activity (Go SEA)

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