UCSF

ZINC35040267

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) -0.06 5.45 -42.26 1 4 1 42 213.301 3
Hi High (pH 8-9.5) -0.06 3.08 -9.93 0 4 0 41 212.293 3

Activity (Go SEA)

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