UCSF

ZINC71150322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 20 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) 0.87 2.97 -99.52 3 6 2 63 283.42 6
Hi High (pH 8-9.5) 0.87 1.61 -42.96 2 6 1 59 282.412 6

Activity (Go SEA)

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