UCSF

ZINC20305868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 16 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) 5.32 9.6 -38.55 2 1 1 17 305.305 8
Hi High (pH 8-9.5) 5.32 9.23 -1.57 1 1 0 12 304.297 8

Activity (Go SEA)

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