UCSF

ZINC42972284

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 17 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) 0.63 0.92 -49.25 4 3 1 51 239.314 4
Hi High (pH 8-9.5) 0.63 2.38 -31.31 4 3 1 51 239.314 4
Mid Mid (pH 6-8) 0.63 2.73 -117.78 5 3 2 52 240.322 4

Activity (Go SEA)

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