UCSF

ZINC42466393

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 2.42 4.38 -9.88 1 4 0 50 269.728 3
Hi High (pH 8-9.5) 2.42 5.31 -53.58 0 4 -1 53 268.72 3

Activity (Go SEA)

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