UCSF

ZINC44647756

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 2.48 6.52 -44.13 3 4 1 49 270.784 6
Hi High (pH 8-9.5) 2.48 5.17 -6.2 2 4 0 44 269.776 6

Activity (Go SEA)

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