UCSF

ZINC22806018

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 33 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) 3.87 10.94 -52.46 1 7 1 58 463.631 4
Hi High (pH 8-9.5) 3.87 8.4 -19.2 0 7 0 57 462.623 4

Activity (Go SEA)

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