UCSF

ZINC20254903

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 28 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) 2.42 10.28 -40.26 1 5 1 43 377.512 3
Hi High (pH 8-9.5) 2.42 9.65 -12.36 0 5 0 41 376.504 3

Activity (Go SEA)

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