UCSF

ZINC71126661

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2011 18 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) 4.12 7.69 -27.65 2 2 1 29 267.462 5
Hi High (pH 8-9.5) 4.12 8.49 -2.22 1 2 0 25 266.454 5

Activity (Go SEA)

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