UCSF

ZINC28702719

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 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) 6.38 14.91 -42.24 2 6 1 64 462.524 7
Hi High (pH 8-9.5) 6.38 12.35 -12.94 1 6 0 63 461.516 7

Activity (Go SEA)

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