UCSF

ZINC21538023

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 24 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 8.56 -38.05 2 5 1 60 346.476 4
Hi High (pH 8-9.5) 3.02 6.36 -7.28 1 5 0 58 345.468 4

Activity (Go SEA)

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