UCSF

ZINC44649045

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 2.34 4.9 -42.64 3 4 1 55 269.34 7
Hi High (pH 8-9.5) 2.34 3.55 -8.75 2 4 0 50 268.332 7

Activity (Go SEA)

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