UCSF

ZINC09461221

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 38 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) 4.61 12.64 -43.19 0 8 -1 105 514.554 11
Mid Mid (pH 6-8) 5.06 11.29 -29.38 1 8 0 102 515.562 10
Mid Mid (pH 6-8) 4.03 12.32 -20.91 0 8 0 99 515.562 11

Activity (Go SEA)

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