UCSF

ZINC08440123

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 35 No

Other Names:

MFCD02608072

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) 5.11 13.11 -19.65 2 6 0 80 465.553 5
Mid Mid (pH 6-8) 5.25 11.23 -20 1 6 0 81 465.553 5
Mid Mid (pH 6-8) 5.25 12.17 -22.54 1 6 0 81 465.553 5
Lo Low (pH 4.5-6) 5.07 12.32 -34.33 2 6 1 82 466.561 5
Lo Low (pH 4.5-6) 5.07 12.3 -30.63 2 6 1 82 466.561 5
Lo Low (pH 4.5-6) 5.25 11 -34.13 2 6 1 82 466.561 5
Lo Low (pH 4.5-6) 5.25 11.95 -40.4 2 6 1 82 466.561 5

Activity (Go SEA)

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