UCSF

ZINC33445584

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 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) 2.41 8.14 -58.1 1 8 -1 116 423.376 5
Lo Low (pH 4.5-6) 2.41 6.84 -22.78 2 8 0 113 424.384 5

Activity (Go SEA)

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