UCSF

ZINC19677384

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) -0.57 3.97 -55.34 2 6 1 66 282.364 2
Hi High (pH 8-9.5) -0.57 2.68 -20.68 1 6 0 62 281.356 2

Activity (Go SEA)

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