UCSF

ZINC15016539

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 24 No

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) 6.44 10.01 -8.22 1 3 0 45 381.259 2
Hi High (pH 8-9.5) 6.90 8.27 -48.78 0 3 -1 48 380.251 2
Hi High (pH 8-9.5) 6.90 7.59 -48.79 0 3 -1 48 380.251 2

Activity (Go SEA)

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