UCSF

ZINC13081083

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2008 37 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) 5.14 12.22 -20.78 1 6 0 77 514.647 6
Mid Mid (pH 6-8) 5.14 10.72 -31.21 1 6 0 77 514.647 6
Mid Mid (pH 6-8) 5.31 13.71 -15.06 1 6 0 77 514.647 6

Activity (Go SEA)

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