UCSF

ZINC09244084

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 1.60 6.05 -54.36 1 9 -1 136 411.39 9
Mid Mid (pH 6-8) 2.04 -2.28 -26.03 2 9 0 132 412.398 8

Activity (Go SEA)

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