UCSF

ZINC20233326

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 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) 2.97 9.69 -76.58 1 8 0 93 468.55 11
Hi High (pH 8-9.5) 2.97 7.15 -62.2 0 8 -1 91 467.542 11

Activity (Go SEA)

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