UCSF

ZINC52331459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 19 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) 3.83 6.64 -38.01 2 3 1 39 277.413 5
Hi High (pH 8-9.5) 3.83 5.39 -4.81 1 3 0 34 276.405 5

Activity (Go SEA)

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