UCSF

ZINC04261019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 29 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) 3.67 4.03 -18.66 3 8 0 109 399.447 10
Hi High (pH 8-9.5) 3.67 4.82 -56.29 2 8 -1 112 398.439 10

Activity (Go SEA)

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