UCSF

ZINC34666401

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 4.77 9.48 -45.55 2 2 1 26 274.359 5
Hi High (pH 8-9.5) 4.77 8.31 -6.3 1 2 0 21 273.351 5

Activity (Go SEA)

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