UCSF

ZINC34491417

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 19 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) 3.30 5.62 -88.09 4 3 2 36 269.477 4
Hi High (pH 8-9.5) 3.30 4.69 -37.54 3 3 1 32 268.469 4

Activity (Go SEA)

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