UCSF

ZINC22115483

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 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) 4.78 9.13 -47.37 2 2 1 20 356.704 3
Hi High (pH 8-9.5) 4.78 7.71 -3.1 1 2 0 15 355.696 3

Activity (Go SEA)

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