UCSF

ZINC09339474

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 34 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) 3.79 11.32 -73.79 1 7 0 83 464.562 12
Mid Mid (pH 6-8) 4.23 10.65 -46.29 2 7 1 81 465.57 11

Activity (Go SEA)

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