UCSF

ZINC06371556

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2006 27 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) 1.53 3.69 -19.41 2 7 0 102 364.357 1
Hi High (pH 8-9.5) 1.53 4.48 -51.02 1 7 -1 104 363.349 1

Activity (Go SEA)

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