UCSF

ZINC09272674

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 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) 5.07 12.32 -60.55 0 6 -1 79 490.963 9
Lo Low (pH 4.5-6) 5.07 11.36 -15.61 1 6 0 76 491.971 9

Activity (Go SEA)

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