UCSF

ZINC09110592

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 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) 4.66 10.93 -59.3 0 8 -1 105 486.5 9
Mid Mid (pH 6-8) 4.08 12.68 -11.75 0 8 0 99 487.508 9
Mid Mid (pH 6-8) 4.66 12.32 -13.02 1 8 0 102 487.508 9

Activity (Go SEA)

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