UCSF

ZINC69770851

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 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) 0.96 8.55 -52.61 1 6 1 60 318.397 4
Hi High (pH 8-9.5) 0.96 6.31 -15.18 0 6 0 59 317.389 4

Activity (Go SEA)

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