UCSF

ZINC37982476

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 18 No

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) 2.15 4.36 -55.54 2 3 1 51 292.783 4
Hi High (pH 8-9.5) 2.15 3 -12.55 1 3 0 46 291.775 4

Activity (Go SEA)

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