UCSF

ZINC09179071

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 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) 5.13 13.23 -73.56 1 6 0 74 464.606 11
Mid Mid (pH 6-8) 5.57 13.22 -44.66 2 6 1 71 465.614 10
Mid Mid (pH 6-8) 4.54 2.16 -47.36 1 6 1 68 465.614 11

Activity (Go SEA)

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