UCSF

ZINC42393113

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 18 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) 2.33 8.88 -104.3 2 3 2 22 269.82 4
Hi High (pH 8-9.5) 2.33 6.66 -44.08 1 3 1 21 268.812 4

Activity (Go SEA)

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