UCSF

ZINC05483935

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 23 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) 3.18 4.52 -12.45 2 6 0 84 374.194 3
Ref Reference (pH 7) 3.18 4.38 -16.2 2 6 0 84 374.194 3
Hi High (pH 8-9.5) 3.63 2.77 -42.37 1 6 -1 87 373.186 3
Hi High (pH 8-9.5) 3.63 2.46 -51.01 1 6 -1 87 373.186 3

Activity (Go SEA)

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