UCSF

ZINC34956054

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 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) 3.27 2.71 -7.95 1 4 0 59 218.256 2
Mid Mid (pH 6-8) 3.08 5.35 -71.44 2 4 1 60 219.264 1

Activity (Go SEA)

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