UCSF

ZINC04501367

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 19 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) 6.48 1.3 -45.8 0 2 -1 40 287.489 15
Hi High (pH 8-9.5) 6.48 0.34 -93.54 0 2 -2 40 286.481 15

Activity (Go SEA)

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