UCSF

ZINC05829926

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 12 Yes

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) -1.25 1.73 -29.34 4 7 0 113 166.144 0
Hi High (pH 8-9.5) -1.25 1.81 -37 3 7 -1 111 165.136 0
Hi High (pH 8-9.5) -1.25 1.8 -34.48 3 7 -1 111 165.136 0

Activity (Go SEA)

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