UCSF

ZINC37801054

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 1.31 4.25 -46.41 3 5 1 66 279.36 5
Hi High (pH 8-9.5) 1.31 3.97 -11.07 2 5 0 65 278.352 5

Activity (Go SEA)

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