UCSF

ZINC09328230

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 31 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) 2.95 5.89 -66.88 1 7 -1 99 424.473 9
Lo Low (pH 4.5-6) 2.95 5.07 -20.72 2 7 0 96 425.481 9

Activity (Go SEA)

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