UCSF

ZINC04543396

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 21 No

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) -0.97 -1.3 -13.35 3 6 0 100 296.319 1
Hi High (pH 8-9.5) -0.97 -0.43 -62.64 2 6 -1 102 295.311 1

Activity (Go SEA)

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