UCSF

ZINC36638742

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 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) 2.79 5.78 -20.47 0 5 0 67 398.525 5
Lo Low (pH 4.5-6) 2.79 7.25 -47.1 1 5 1 68 399.533 5

Activity (Go SEA)

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