UCSF

ZINC61820766

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 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) 2.47 7.73 -32.32 1 2 1 22 210.341 1
Hi High (pH 8-9.5) 2.47 5.58 -3.69 0 2 0 20 209.333 1

Activity (Go SEA)

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