UCSF

ZINC20550942

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 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) 4.33 10.61 -104.88 3 2 2 21 256.478 9
Hi High (pH 8-9.5) 4.33 8.31 -37.31 2 2 1 20 255.47 9
Hi High (pH 8-9.5) 4.33 9.32 -33.15 2 2 1 16 255.47 9

Activity (Go SEA)

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