UCSF

ZINC41362496

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 20 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) 1.59 5.89 -40.35 2 4 1 37 276.404 6
Hi High (pH 8-9.5) 1.59 5.77 -43.12 2 4 1 37 276.404 6
Hi High (pH 8-9.5) 1.59 3.52 -9.58 1 4 0 36 275.396 6

Activity (Go SEA)

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