UCSF

ZINC34619267

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 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) 0.90 3.87 -11.03 1 5 0 65 203.238 8
Mid Mid (pH 6-8) 0.90 5.03 -42.59 2 5 1 69 204.246 8

Activity (Go SEA)

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