UCSF

ZINC52289178

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) 1.21 4.03 -41.57 5 4 1 73 258.345 4
Hi High (pH 8-9.5) 1.21 3.73 -10.07 4 4 0 71 257.337 4

Activity (Go SEA)

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