UCSF

ZINC60219341

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 26 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) 2.84 6.01 -42.11 2 6 1 73 356.446 6
Hi High (pH 8-9.5) 2.84 3.63 -10.59 1 6 0 72 355.438 6

Activity (Go SEA)

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