UCSF

ZINC05749569

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 22 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) 3.75 9.11 -18.93 1 6 0 99 336.134 3
Hi High (pH 8-9.5) 3.82 7.42 -39.92 0 6 -1 105 335.126 3

Activity (Go SEA)

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