UCSF

ZINC31155929

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 17 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) 2.76 4.28 -9.64 1 4 0 56 236.267 2
Hi High (pH 8-9.5) 2.76 5.05 -44.42 0 4 -1 59 235.259 2

Activity (Go SEA)

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