UCSF

ZINC42448899

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.13 6.18 -106.61 3 3 2 34 210.321 5
Hi High (pH 8-9.5) 1.13 3.85 -37.89 2 3 1 33 209.313 5
Hi High (pH 8-9.5) 1.13 4.82 -35.72 2 3 1 30 209.313 5

Activity (Go SEA)

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