UCSF

ZINC09328725

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 36 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) 1.55 4.42 -59.05 0 10 -1 126 515.564 9
Lo Low (pH 4.5-6) 1.55 3.66 -16.72 1 10 0 123 516.572 9

Activity (Go SEA)

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