UCSF

ZINC33902696

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 36 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) 4.00 7.55 -37.43 3 8 1 95 481.532 2
Hi High (pH 8-9.5) 4.00 7.8 -10.79 2 8 0 90 480.524 2

Activity (Go SEA)

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