UCSF

ZINC09457541

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 33 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) 2.55 7.32 -61.66 0 8 -1 97 452.483 9
Mid Mid (pH 6-8) 3.00 6.59 -27.57 1 8 0 95 453.491 8
Mid Mid (pH 6-8) 1.97 7.56 -22.16 0 8 0 91 453.491 9

Activity (Go SEA)

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