UCSF

ZINC15938179

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 8 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) -2.24 -8.99 -30.61 5 5 0 100 120.108 0
Hi High (pH 8-9.5) -2.24 -8.26 -62.52 4 5 -1 102 119.1 0

Activity (Go SEA)

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