UCSF

ZINC39118824

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 15 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) -2.13 2.89 -64.54 4 5 0 97 214.265 3
Hi High (pH 8-9.5) -2.13 2.57 -54.61 3 5 -1 95 213.257 3

Activity (Go SEA)

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