UCSF

ZINC19685144

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 11 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) -0.11 2.05 -97.63 4 3 2 41 160.261 4
Hi High (pH 8-9.5) -0.11 0.48 -37.49 3 3 1 37 159.253 4

Activity (Go SEA)

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