UCSF

ZINC34667586

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 33 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) 3.91 11.5 -18.6 1 7 0 75 485.371 6
Mid Mid (pH 6-8) 3.91 11.85 -50.88 2 7 1 76 486.379 6

Activity (Go SEA)

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