UCSF

ZINC39555801

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 30 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) 0.99 6.6 -22.59 1 8 0 83 410.522 4
Mid Mid (pH 6-8) 0.99 8.75 -52.92 2 8 1 85 411.53 4

Activity (Go SEA)

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