UCSF

ZINC29656761

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2009 26 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) 4.30 12.19 -54.98 2 3 1 34 352.477 6
Hi High (pH 8-9.5) 4.30 10.78 -8.66 1 3 0 30 351.469 6

Activity (Go SEA)

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