UCSF

ZINC44511499

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 0.39 4.22 -53.33 4 4 1 66 273.356 4
Hi High (pH 8-9.5) 0.39 3.82 -14.12 3 4 0 64 272.348 4

Activity (Go SEA)

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