UCSF

ZINC05358922

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 24 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) 2.70 9.09 -12.41 1 6 0 73 367.496 8
Mid Mid (pH 6-8) 2.70 9.55 -40.07 2 6 1 74 368.504 8

Activity (Go SEA)

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