UCSF

ZINC42207004

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 13 No

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) 1.91 7.75 -37.15 1 2 1 22 184.303 7
Hi High (pH 8-9.5) 1.91 5.65 -4.93 0 2 0 20 183.295 7

Activity (Go SEA)

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