UCSF

ZINC66146977

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 15 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) 2.50 7.64 -110.3 3 2 2 21 212.381 2
Hi High (pH 8-9.5) 2.50 6.57 -30.36 2 2 1 16 211.373 2
Hi High (pH 8-9.5) 2.50 5.82 -30.38 2 2 1 20 211.373 2

Activity (Go SEA)

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