UCSF

ZINC20929446

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.29 12.25 -36.93 2 2 1 26 377.346 9
Hi High (pH 8-9.5) 5.29 11.09 -3.16 1 2 0 21 376.338 9

Activity (Go SEA)

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