UCSF

ZINC34951362

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 4.56 8.58 -12.92 2 7 0 71 461.61 6
Mid Mid (pH 6-8) 4.56 10.85 -47.11 3 7 1 73 462.618 6

Activity (Go SEA)

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