UCSF

ZINC04553020

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2005 30 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) 4.42 4.68 -19.07 3 6 0 98 399.45 4
Hi High (pH 8-9.5) 4.42 5.5 -56.17 2 6 -1 101 398.442 4

Activity (Go SEA)

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