UCSF

ZINC05951012

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 12 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) 0.83 5.45 -14.66 2 5 0 71 168.2 4
Hi High (pH 8-9.5) 1.02 4.17 -40.93 1 5 -1 77 167.192 4

Activity (Go SEA)

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