UCSF

ZINC69599364

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 22 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) 2.61 5.2 -44.19 2 5 1 60 325.454 5
Hi High (pH 8-9.5) 2.61 2.8 -8.49 1 5 0 59 324.446 5

Activity (Go SEA)

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