UCSF

ZINC19795688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 22 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) 0.68 6.95 -10.41 2 6 0 92 317.732 3
Lo Low (pH 4.5-6) 0.68 7.25 -55.45 3 6 1 94 318.74 3
Lo Low (pH 4.5-6) 0.68 7.26 -57.07 3 6 1 94 318.74 3

Activity (Go SEA)

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