UCSF

ZINC37823165

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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 -2.16 -42.28 6 6 1 111 264.305 3
Hi High (pH 8-9.5) -0.36 -2.5 -12.06 5 6 0 110 263.297 3

Activity (Go SEA)

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