UCSF

ZINC09272741

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 30 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) 5.78 12.91 -38.94 0 4 -1 60 461.335 4
Mid Mid (pH 6-8) 6.23 11.49 -26.52 1 4 0 58 462.343 3

Activity (Go SEA)

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