UCSF

ZINC52294493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 10 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 2.78 -118.17 5 2 2 44 144.262 4
Hi High (pH 8-9.5) 0.81 1.6 -36.09 4 2 1 40 143.254 4

Activity (Go SEA)

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