UCSF

ZINC14994013

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 31 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) 3.26 5.91 -16.91 1 7 0 85 466.625 9
Hi High (pH 8-9.5) 3.26 5.5 -51.93 0 7 -1 87 465.617 9

Activity (Go SEA)

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