UCSF

ZINC37339006

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 3.97 8.87 -31.62 1 2 1 22 274.837 5
Hi High (pH 8-9.5) 3.97 7.3 -4.04 0 2 0 20 273.829 5

Activity (Go SEA)

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