UCSF

ZINC59544286

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 21 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) 0.81 3.19 -42.7 2 6 1 65 295.359 6
Hi High (pH 8-9.5) 0.81 1.81 -10.54 1 6 0 60 294.351 6

Activity (Go SEA)

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