UCSF

ZINC19907109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 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) 3.16 7.5 -40.27 2 3 1 34 232.351 5
Hi High (pH 8-9.5) 3.16 6.19 -7.96 1 3 0 30 231.343 5

Activity (Go SEA)

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