UCSF

ZINC08894006

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 37 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) 6.80 13.85 -60.62 0 6 -1 83 511.623 6
Mid Mid (pH 6-8) 7.24 12.83 -25.98 1 6 0 80 512.631 5

Activity (Go SEA)

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