UCSF

ZINC09422861

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 28 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) 3.35 7.47 -11.95 0 5 0 56 390.464 3
Lo Low (pH 4.5-6) 3.35 0.52 -122.51 2 5 2 58 392.48 3
Lo Low (pH 4.5-6) 3.35 7.86 -41.75 1 5 1 57 391.472 3

Activity (Go SEA)

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