UCSF

ZINC15679095

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2008 32 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) 4.54 12.51 -11.67 0 5 0 41 432.543 4
Mid Mid (pH 6-8) 4.54 14.86 -92.38 2 5 2 44 434.559 4

Activity (Go SEA)

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