UCSF

ZINC13112011

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 22 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) 2.67 7.25 -40.03 2 8 1 105 309.346 5
Hi High (pH 8-9.5) 2.67 6 -15.3 1 8 0 104 308.338 5

Activity (Go SEA)

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