UCSF

ZINC04494403

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 14 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) 2.59 8.59 -15.37 0 2 0 34 255.111 4
Hi High (pH 8-9.5) 3.33 8.51 -41.52 0 2 -1 40 254.103 3

Activity (Go SEA)

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