UCSF

ZINC12502881

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.72 0.55 -80.98 5 5 1 102 221.236 3
Hi High (pH 8-9.5) -1.72 0.24 -48.03 4 5 0 100 220.228 3

Activity (Go SEA)

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