UCSF

ZINC59786746

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 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) 2.50 1.94 -11.54 2 5 0 80 284.267 2
Hi High (pH 8-9.5) 2.50 2.72 -42.95 1 5 -1 83 283.259 2

Activity (Go SEA)

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