UCSF

ZINC20444056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 3.58 10.43 -80.65 2 7 0 94 472.541 9
Hi High (pH 8-9.5) 3.58 7.91 -63.25 1 7 -1 93 471.533 9
Lo Low (pH 4.5-6) 3.58 9.62 -60.1 3 7 1 92 473.549 9

Activity (Go SEA)

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