UCSF

ZINC41801546

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 12 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) -1.69 1.16 -34.93 3 4 0 77 175.228 6
Hi High (pH 8-9.5) -1.69 -0.13 -44.56 2 4 -1 72 174.22 6

Activity (Go SEA)

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