UCSF

ZINC52299589

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 17 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) 1.09 4.84 -50.11 4 3 1 57 229.303 2
Hi High (pH 8-9.5) 1.09 4.43 -11.23 3 3 0 55 228.295 2

Activity (Go SEA)

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