UCSF

ZINC35698661

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 21 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) 3.99 10.32 -8.67 1 3 0 38 322.499 3
Hi High (pH 8-9.5) 4.45 9.31 -38.48 0 3 -1 41 321.491 3

Activity (Go SEA)

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