UCSF

ZINC09461305

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 39 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) 4.88 12.9 -61.3 0 8 -1 105 528.581 12
Mid Mid (pH 6-8) 5.33 11.86 -31.72 1 8 0 102 529.589 11
Mid Mid (pH 6-8) 4.30 12.9 -24.1 0 8 0 99 529.589 12

Activity (Go SEA)

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