UCSF

ZINC09458751

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 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) 3.46 10.51 -63.1 0 8 -1 105 484.484 7
Mid Mid (pH 6-8) 2.87 10.47 -27.33 0 8 0 99 485.492 7
Mid Mid (pH 6-8) 3.90 9.47 -30.53 1 8 0 102 485.492 6

Activity (Go SEA)

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