UCSF

ZINC20761072

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 36 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) 5.09 14.15 -114.72 2 7 2 67 492.616 5
Hi High (pH 8-9.5) 5.09 12.2 -48.08 1 7 1 66 491.608 5
Hi High (pH 8-9.5) 5.09 11.69 -43.39 1 7 1 66 491.608 5

Activity (Go SEA)

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