UCSF

ZINC09007860

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 35 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) 5.65 12.56 -54.05 0 6 -1 83 487.532 6
Mid Mid (pH 6-8) 5.07 0.29 -12.38 0 6 0 76 488.54 6
Lo Low (pH 4.5-6) 5.65 11.74 -15.4 1 6 0 80 488.54 6

Activity (Go SEA)

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