UCSF

ZINC55091092

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 29 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) 3.02 9.96 -44.41 1 5 1 31 403.566 4
Hi High (pH 8-9.5) 3.02 7.73 -10.01 0 5 0 30 402.558 4

Activity (Go SEA)

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