UCSF

ZINC35481636

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 20 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) 2.50 3.12 -15.45 2 4 0 58 296.298 1
Hi High (pH 8-9.5) 2.50 2.46 -44.71 1 4 -1 60 295.29 1

Activity (Go SEA)

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